N-benzyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-methyl[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-benzyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-methyl[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-benzyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-methyl[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-1349 |
| Compound Name: | N-benzyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)-N-methyl[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 492 |
| Molecular Formula: | C25 H22 Cl N5 O2 S |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3cc(ccc3n2nn1)[Cl])N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4615 |
| logD: | 6.4615 |
| logSw: | -6.3026 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.63 |
| InChI Key: | NUBYKBDRHAAZMB-UHFFFAOYSA-N |