2-bromo-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
2-bromo-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide
2-bromo-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 8013-4772 |
| Compound Name: | 2-bromo-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide |
| Molecular Weight: | 428.69 |
| Molecular Formula: | C15 H11 Br Cl N3 O3 S |
| Smiles: | Cc1cc(c(cc1NC(NC(c1ccccc1[Br])=O)=S)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.239 |
| logD: | 3.7283 |
| logSw: | -4.5472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.622 |
| InChI Key: | IIXYJCJEVULVFG-UHFFFAOYSA-N |