3-chloro-4-methoxy-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
3-chloro-4-methoxy-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
3-chloro-4-methoxy-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 8012-7368 |
| Compound Name: | 3-chloro-4-methoxy-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C20 H21 Cl N4 O4 S |
| Smiles: | Cc1cc(c(cc1NC(NC(c1ccc(c(c1)[Cl])OC)=O)=S)N1CCCC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5597 |
| logD: | 4.5466 |
| logSw: | -4.7206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.771 |
| InChI Key: | KIEDDPXPUUXFOO-UHFFFAOYSA-N |