N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 8015-9556 |
| Compound Name: | N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 441.84 |
| Molecular Formula: | C17 H16 Cl N3 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(Nc1cc(cc(c1O)[Cl])[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5286 |
| logD: | 2.7119 |
| logSw: | -4.0115 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.381 |
| InChI Key: | ONHBLNDPORZXJI-UHFFFAOYSA-N |