N-(5-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1462 |
| Compound Name: | N-(5-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCc1c[nH]cn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8891 |
| logD: | 0.8795 |
| logSw: | -2.3238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.309 |
| InChI Key: | PDBPYLVEGNXWNA-UHFFFAOYSA-N |