N-(5-chloro-2-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-chloro-2-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0671 |
| Compound Name: | N-(5-chloro-2-{[(4-methylphenyl)methyl]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: | CC1=C(C(Nc2cc(ccc2C(NCc2ccc(C)cc2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3687 |
| logD: | 1.5438 |
| logSw: | -3.6794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | CNHYYHVTELKSQQ-UHFFFAOYSA-N |