ethyl {[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}carbamate
Chemical Structure Depiction of
ethyl {[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}carbamate
ethyl {[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}carbamate
Compound characteristics
| Compound ID: | Y505-5017 |
| Compound Name: | ethyl {[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}carbamate |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C12 H12 N4 O5 S |
| Smiles: | CCOC(NC(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3559 |
| logD: | 0.7028 |
| logSw: | -2.5443 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.042 |
| InChI Key: | UCMTXIBLYIVYFF-UHFFFAOYSA-N |