N-{5-chloro-2-[(4-methylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{5-chloro-2-[(4-methylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{5-chloro-2-[(4-methylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0713 |
| Compound Name: | N-{5-chloro-2-[(4-methylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C20 H25 Cl N2 O3 S |
| Smiles: | CC1CCC(CC1)NC(c1ccc(cc1NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0968 |
| logD: | 2.0174 |
| logSw: | -4.5513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.041 |
| InChI Key: | POSOVPFLIFDSJZ-UHFFFAOYSA-N |