2,3-bis{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}naphthalene-1,4-dione
Chemical Structure Depiction of
2,3-bis{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}naphthalene-1,4-dione
2,3-bis{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8016-3800 |
| Compound Name: | 2,3-bis{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}naphthalene-1,4-dione |
| Molecular Weight: | 592.74 |
| Molecular Formula: | C32 H28 N6 O2 S2 |
| Smiles: | CCn1c(c2ccc(C)cc2)nnc1SC1=C(C(c2ccccc2C1=O)=O)Sc1nnc(c2ccc(C)cc2)n1CC |
| Stereo: | ACHIRAL |
| logP: | 7.4536 |
| logD: | 7.4536 |
| logSw: | -5.7442 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.906 |
| InChI Key: | RCDKWUZFHOECJK-UHFFFAOYSA-N |