N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0553 |
| Compound Name: | N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 394.92 |
| Molecular Formula: | C19 H23 Cl N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(NC2CCCCC2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.5865 |
| logD: | 1.5883 |
| logSw: | -4.0552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.041 |
| InChI Key: | AIOBNLPEJHMVAR-UHFFFAOYSA-N |