N-[(4-methylphenyl)methyl]-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-[(4-methylphenyl)methyl]-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-0471 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1ccc(CNc2c3ccccc3n3c(c(nn3)S(c3c(C)cc(C)cc3C)(=O)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7087 |
| logD: | 5.7087 |
| logSw: | -5.7327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.617 |
| InChI Key: | ZLRYXSUGEDTFOI-UHFFFAOYSA-N |