N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0082 |
| Compound Name: | N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Smiles: | C(CNC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8928 |
| logD: | 2.7289 |
| logSw: | -3.6627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.213 |
| InChI Key: | DUMWHYGWQZQHIE-UHFFFAOYSA-N |