7-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Chemical Structure Depiction of
7-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
7-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Compound characteristics
| Compound ID: | C718-2327 |
| Compound Name: | 7-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline |
| Molecular Weight: | 561.11 |
| Molecular Formula: | C29 H29 Cl N6 O2 S |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3cc(ccc3n2nn1)[Cl])N1CCN(CC1)c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7316 |
| logD: | 7.7316 |
| logSw: | -6.49 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.088 |
| InChI Key: | RRPFWEWMAGKEAB-UHFFFAOYSA-N |