ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8019-4368 |
| Compound Name: | ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc(C)c(C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8335 |
| logD: | 2.8059 |
| logSw: | -3.2189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.335 |
| InChI Key: | QGWLKMFEVUEJLK-UHFFFAOYSA-N |