N-[2-(butylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-(butylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-(butylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0487 |
| Compound Name: | N-[2-(butylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 368.88 |
| Molecular Formula: | C17 H21 Cl N2 O3 S |
| Smiles: | CCCCNC(c1cc(ccc1NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0559 |
| logD: | 1.0577 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.429 |
| InChI Key: | CIPZHSJXFZDSLZ-UHFFFAOYSA-N |