methyl 2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
methyl 2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
Compound characteristics
| Compound ID: | 8006-4095 |
| Compound Name: | methyl 2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C13 H15 N3 O3 S |
| Smiles: | CN(C)C(CSc1nc2ccccc2n1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1966 |
| logD: | 1.1966 |
| logSw: | -1.9705 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.905 |
| InChI Key: | QISYKTJOTUABFL-UHFFFAOYSA-N |