5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Chemical Structure Depiction of
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Compound characteristics
| Compound ID: | E694-0079 |
| Compound Name: | 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline |
| Molecular Weight: | 533.05 |
| Molecular Formula: | C27 H25 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(c1c2nc(c3ccccc3n2nn1)N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5496 |
| logD: | 6.5496 |
| logSw: | -6.3467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.088 |
| InChI Key: | IIKADFLKNYJEDG-UHFFFAOYSA-N |