1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1460 |
| Compound Name: | 1-benzyl-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(NC(c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.7424 |
| logD: | 6.7276 |
| logSw: | -5.6402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.947 |
| InChI Key: | OFTQWNCEZRWDEX-UHFFFAOYSA-N |