2-chloro-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
2-chloro-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 8012-7364 |
| Compound Name: | 2-chloro-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19 H19 Cl N4 O3 S |
| Smiles: | Cc1cc(c(cc1NC(NC(c1ccccc1[Cl])=O)=S)N1CCCC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6945 |
| logD: | 4.6567 |
| logSw: | -4.8098 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.14 |
| InChI Key: | UYASTMZOITYBAK-UHFFFAOYSA-N |