2-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-benzoxazole-6-carboxamide
Chemical Structure Depiction of
2-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-benzoxazole-6-carboxamide
2-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-benzoxazole-6-carboxamide
Compound characteristics
| Compound ID: | G706-0952 |
| Compound Name: | 2-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-benzoxazole-6-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C23 H20 N2 O2 S |
| Smiles: | CSc1ccc(CNC(c2ccc3c(c2)oc(Cc2ccccc2)n3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1698 |
| logD: | 5.1697 |
| logSw: | -5.104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.128 |
| InChI Key: | JCQJHCOYDSMTGX-UHFFFAOYSA-N |