2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1(2H)-yl]ethan-1-one
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 3807-4415 |
| Compound Name: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 556.73 |
| Molecular Formula: | C35 H32 N4 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccc(cc12)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1775 |
| logD: | 6.823 |
| logSw: | -5.6311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.407 |
| InChI Key: | FTSUZTPCXCNWOX-UHFFFAOYSA-N |