6-(ethanesulfonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzoxazole
Chemical Structure Depiction of
6-(ethanesulfonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzoxazole
6-(ethanesulfonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | 8010-6354 |
| Compound Name: | 6-(ethanesulfonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzoxazole |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C16 H14 N2 O5 S2 |
| Smiles: | CCS(c1ccc2c(c1)oc(n2)SCc1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0466 |
| logD: | 3.0466 |
| logSw: | -3.4268 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.048 |
| InChI Key: | SCISUEYBCINTPV-UHFFFAOYSA-N |