N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3379 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C15 H16 N2 O2 S |
| Smiles: | CSc1ccccc1NC(c1c2CCCCc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0897 |
| logD: | 3.0897 |
| logSw: | -3.4785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.032 |
| InChI Key: | CMUZXJHXNZZQDP-UHFFFAOYSA-N |