3-(4-tert-butylbenzene-1-sulfonyl)-N-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-N-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
3-(4-tert-butylbenzene-1-sulfonyl)-N-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
Compound ID: | C718-0756 |
Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-N-(4-chlorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
Molecular Weight: | 492 |
Molecular Formula: | C25 H22 Cl N5 O2 S |
Smiles: | CC(C)(C)c1ccc(cc1)S(c1c2nc(c3ccccc3n2nn1)Nc1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.9861 |
logD: | 6.9861 |
logSw: | -6.7108 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.295 |
InChI Key: | MARPSINSBUWUPS-UHFFFAOYSA-N |