N-(2-{[(2,3-dimethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2,3-dimethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(2,3-dimethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0963 |
| Compound Name: | N-(2-{[(2,3-dimethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | COc1cccc(CNC(c2ccccc2NC(C2=CSCCO2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | 2.5904 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.021 |
| InChI Key: | RQPKBHUWWPTUCC-UHFFFAOYSA-N |