methyl 2-{[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
methyl 2-{[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-5560 |
| Compound Name: | methyl 2-{[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl}-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | COC(c1ccc2c(c1)nc(o2)SCC(c1ccc2CCCCc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2667 |
| logD: | 5.2667 |
| logSw: | -5.2642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.972 |
| InChI Key: | NLSFVAQLUHGENQ-UHFFFAOYSA-N |