1-(4-{4-[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C718-2394 |
| Compound Name: | 1-(4-{4-[7-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 575.09 |
| Molecular Formula: | C29 H27 Cl N6 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1c2cc(ccc2n2c(c(nn2)S(c2ccc(C)c(C)c2)(=O)=O)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1957 |
| logD: | 6.1957 |
| logSw: | -6.2194 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.215 |
| InChI Key: | GHAWAXHYHWKIPY-UHFFFAOYSA-N |