N-(5-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1426 |
| Compound Name: | N-(5-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C21 H21 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1731 |
| logD: | 3.1679 |
| logSw: | -3.6009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.515 |
| InChI Key: | IMPAOGWTIJAZOO-UHFFFAOYSA-N |