N-[2-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-[2-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3493 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 302.39 |
| Molecular Formula: | C16 H18 N2 O2 S |
| Smiles: | CSc1ccccc1NC(c1c2CCCCCc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5856 |
| logD: | 3.5856 |
| logSw: | -3.8208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.363 |
| InChI Key: | HAUKOAAVBQSKED-UHFFFAOYSA-N |