4-[(1,3-benzoxazol-2-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[(1,3-benzoxazol-2-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
4-[(1,3-benzoxazol-2-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8010-0127 |
| Compound Name: | 4-[(1,3-benzoxazol-2-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 322.3 |
| Molecular Formula: | C15 H6 N4 O3 S |
| Smiles: | C(c1cc(c(cc1C#N)Sc1nc2ccccc2o1)[N+]([O-])=O)#N |
| Stereo: | ACHIRAL |
| logP: | 4.032 |
| logD: | 4.032 |
| logSw: | -4.4107 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.823 |
| InChI Key: | LXXDUJMKBMEOOZ-UHFFFAOYSA-N |