N-(3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1803 |
| Compound Name: | N-(3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C23 H25 Cl N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(C(NCCc3ccc(c(c3)OC)OC)=O)c(c2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.7525 |
| logD: | 0.8517 |
| logSw: | -3.6564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.116 |
| InChI Key: | VNXLBCLPWHCBJS-UHFFFAOYSA-N |