N-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0896 |
| Compound Name: | N-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | CCOc1ccc(CCNC(c2ccccc2NC(C2=CSCCO2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5324 |
| logD: | 2.3033 |
| logSw: | -3.0831 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.936 |
| InChI Key: | KTOYGBQYLXJTIP-UHFFFAOYSA-N |