methyl 2-{2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y510-4455 |
| Compound Name: | methyl 2-{2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C17 H14 N4 O5 S |
| Smiles: | COC(c1ccccc1NC(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6279 |
| logD: | 1.9747 |
| logSw: | -3.3318 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.987 |
| InChI Key: | RQRDZWLYKSTGLC-UHFFFAOYSA-N |