2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
Chemical Structure Depiction of
2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one
Compound characteristics
| Compound ID: | 8451-02511 |
| Compound Name: | 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethan-1-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | CCn1c(c2ccccc2OC)nnc1SC(C(c1ccccc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4534 |
| logD: | 5.4533 |
| logSw: | -5.5703 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.063 |
| InChI Key: | ZLIUGBVTSLZJQR-HSZRJFAPSA-N |