1-(4-{[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}phenyl)ethan-1-one
1-(4-{[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C718-2422 |
| Compound Name: | 1-(4-{[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 505.98 |
| Molecular Formula: | C25 H20 Cl N5 O3 S |
| Smiles: | CC(c1ccc(cc1)Nc1c2cc(ccc2n2c(c(nn2)S(c2ccc(C)c(C)c2)(=O)=O)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7343 |
| logD: | 5.7343 |
| logSw: | -6.064 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.122 |
| InChI Key: | HABLKRTWPKPHAU-UHFFFAOYSA-N |