N-(2-{[2-(2-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[2-(2-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0529 |
| Compound Name: | N-(2-{[2-(2-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C21 H21 Cl N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCc2ccccc2[Cl])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.2209 |
| logD: | 2.8104 |
| logSw: | -3.6654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.157 |
| InChI Key: | SYOUIRAHAAVCEV-UHFFFAOYSA-N |