IUPAC name
2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
SMILES
CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
Compound class
Vasodilator Agents; Phosphodiesterase 5 Inhibitors; Anti-Impotence Agents; Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors;
Therapeutic area
Used for the treatment of erectile dysfunction.
Common name
Vardenafil
IUPAC name
2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
SMILES
CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
INCHI
InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
FORMULA
C23H32N6O4S
Common name
Vardenafil
IUPAC name
2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
Molecular weight
488.603
clogP
2.421
clogS
-5.761
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
112.9
Number of Rings
4
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00282 | 1-(dihydroxy-λ3-sulfanyl)-4-ethoxy-benzene |
|
O(c1ccc(cc1)[S](O)O)CC | 0.0007 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF01923 | 1-(benzenesulfonyl)piperazine |
|
c1(ccccc1)S(=O)(=O)N2CCNCC2 | 0.0003 |
| FDBF01924 | 1-(benzenesulfonyl)-4-ethyl-piperazine |
|
C(C)N1CCN(CC1)S(=O)(=O)c2ccccc2 | 0.0003 |
