N-(5-chloro-2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-chloro-2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0658 |
| Compound Name: | N-(5-chloro-2-{[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(Nc2cc(ccc2C(NCCc2ccc(c(c2)OC)OC)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3959 |
| logD: | 0.3164 |
| logSw: | -3.4584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.418 |
| InChI Key: | NKJSIEDJDBFHKH-UHFFFAOYSA-N |