7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-1378 |
| Compound Name: | 7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3cc(ccc3n2nn1)[Cl])NCCC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.253 |
| logD: | 6.253 |
| logSw: | -6.2582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.73 |
| InChI Key: | PYTXFDODVPXFMA-UHFFFAOYSA-N |