N-[4-chloro-2-(propylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-2-(propylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-chloro-2-(propylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0414 |
| Compound Name: | N-[4-chloro-2-(propylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 354.85 |
| Molecular Formula: | C16 H19 Cl N2 O3 S |
| Smiles: | CCCNC(c1cc(ccc1NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4692 |
| logD: | 0.471 |
| logSw: | -3.4684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.429 |
| InChI Key: | NYUNVPWSIONYRF-UHFFFAOYSA-N |