N-(4-chloro-2-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chloro-2-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0559 |
| Compound Name: | N-(4-chloro-2-{[(2-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(Nc2ccc(cc2C(NCc2ccccc2C)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 4.1313 |
| logD: | 2.3871 |
| logSw: | -4.5417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | DMFAWCSAWFAZTE-UHFFFAOYSA-N |