IUPAC name
3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILES
CC12CC2(C)C(=O)N(c2cc(cc(c2)Cl)Cl)C1=O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
procymidone
IUPAC name
3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILES
CC12CC2(C)C(=O)N(c2cc(cc(c2)Cl)Cl)C1=O
INCHI
InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
FORMULA
C13H11Cl2NO2
Common name
procymidone
IUPAC name
3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular weight
284.138
clogP
3.661
clogS
-4.418
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
37.38
Number of Rings
3
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF07447 | (1R,5S)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione |
|
C[C@]12C(=O)NC(=O)[C@]1(C2)C | 0.0003 |
1 ,
1
