N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0275 |
| Compound Name: | N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | CSc1ccc(CNC(c2ccc(cc2)NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0838 |
| logD: | 2.9199 |
| logSw: | -3.4664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.372 |
| InChI Key: | WWVKDWMVIWUIQB-UHFFFAOYSA-N |