N-(3-chloro-4-{[2-(4-ethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-{[2-(4-ethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-chloro-4-{[2-(4-ethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1952 |
| Compound Name: | N-(3-chloro-4-{[2-(4-ethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C23 H25 Cl N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc(cc2[Cl])NC(C2=C(C)OCCS2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6043 |
| logD: | 1.7036 |
| logSw: | -4.0862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.979 |
| InChI Key: | OIRHSTSZKNXPJP-UHFFFAOYSA-N |