2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzoxazole
2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | 4358-6253 |
| Compound Name: | 2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzoxazole |
| Molecular Weight: | 395.37 |
| Molecular Formula: | C14 H9 N3 O7 S2 |
| Smiles: | CS(c1cc(c(c(c1)[N+]([O-])=O)Sc1nc2ccccc2o1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0656 |
| logD: | 3.0656 |
| logSw: | -3.5252 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 112.54 |
| InChI Key: | VXCWKGYTKPACPT-UHFFFAOYSA-N |