N-(2-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0998 |
| Compound Name: | N-(2-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CCCCOc1ccc(CNC(c2ccccc2NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0229 |
| logD: | 3.8817 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.092 |
| InChI Key: | BOKQXCLQWHGXSL-UHFFFAOYSA-N |