N-(4-chloro-2-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chloro-2-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0558 |
| Compound Name: | N-(4-chloro-2-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C22 H23 Cl N2 O4 S |
| Smiles: | CCOc1ccccc1CNC(c1cc(ccc1NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8528 |
| logD: | 2.1085 |
| logSw: | -4.3174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.526 |
| InChI Key: | VPTOHNWQFNXCPS-UHFFFAOYSA-N |