N-{5-chloro-2-[(1-phenylethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{5-chloro-2-[(1-phenylethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{5-chloro-2-[(1-phenylethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0687 |
| Compound Name: | N-{5-chloro-2-[(1-phenylethyl)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: | CC(c1ccccc1)NC(c1ccc(cc1NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2153 |
| logD: | 1.3904 |
| logSw: | -3.6318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.479 |
| InChI Key: | UZZBGQCVZJRDFM-ZDUSSCGKSA-N |