N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0378 |
| Compound Name: | N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cccc(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1839 |
| logD: | 1.9918 |
| logSw: | -2.9842 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.263 |
| InChI Key: | DXVBTQCSHPPPSU-UHFFFAOYSA-N |