N-(2-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0828 |
| Compound Name: | N-(2-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(c1ccccc1NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0878 |
| logD: | 3.0606 |
| logSw: | -3.6535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.352 |
| InChI Key: | UKLPZXGEIJISEI-UHFFFAOYSA-N |