N-benzyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-benzyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-benzyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-0445 |
| Compound Name: | N-benzyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C25 H23 N5 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(c1c2nc(c3ccccc3n2nn1)NCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2854 |
| logD: | 5.2854 |
| logSw: | -5.6325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.617 |
| InChI Key: | COCAKXIZJVWWBQ-UHFFFAOYSA-N |