5-tert-butyl-N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
5-tert-butyl-N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
5-tert-butyl-N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3835 |
| Compound Name: | 5-tert-butyl-N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 344.47 |
| Molecular Formula: | C19 H24 N2 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(C(Nc1ccccc1SC)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.764 |
| logD: | 4.7639 |
| logSw: | -4.3867 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.032 |
| InChI Key: | YBGSMZJMBRRHNA-GFCCVEGCSA-N |