N-(2-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0804 |
| Compound Name: | N-(2-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | C(CNC(c1ccccc1NC(C1=CSCCO1)=O)=O)c1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 0.8348 |
| logD: | 0.6013 |
| logSw: | -2.3783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.309 |
| InChI Key: | APUUUJLGKAEXFX-UHFFFAOYSA-N |