2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
Chemical Structure Depiction of
2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
Compound characteristics
| Compound ID: | Y020-5523 |
| Compound Name: | 2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | C=CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SC(C(c1ccccc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0101 |
| logD: | 6.0101 |
| logSw: | -6.0121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.068 |
| InChI Key: | ZULHSSQWDGILCX-HSZRJFAPSA-N |