methyl 2-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Chemical Structure Depiction of
methyl 2-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
methyl 2-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Compound characteristics
| Compound ID: | D036-1740 |
| Compound Name: | methyl 2-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C22 H15 N3 O5 S |
| Smiles: | COC(c1ccccc1C(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7594 |
| logD: | 4.7438 |
| logSw: | -4.7825 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.701 |
| InChI Key: | UFKNQZUXCDFZMF-UHFFFAOYSA-N |