1-benzyl-N-[(2-chloro-6-hydroxy-3-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[(2-chloro-6-hydroxy-3-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
1-benzyl-N-[(2-chloro-6-hydroxy-3-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1461 |
| Compound Name: | 1-benzyl-N-[(2-chloro-6-hydroxy-3-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C25 H21 Cl N4 O4 S |
| Smiles: | Cc1c2cc(ccc2n(Cc2ccccc2)c1C)C(NC(Nc1c(ccc(c1[Cl])[N+]([O-])=O)O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7117 |
| logD: | 5.2279 |
| logSw: | -5.5422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.673 |
| InChI Key: | OFRKTSGBSKTZBJ-UHFFFAOYSA-N |