methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G877-0032 |
| Compound Name: | methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nccn1C1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2719 |
| logD: | 3.2678 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.04 |
| InChI Key: | PBTQPFSQNIECII-UHFFFAOYSA-N |