1-(4-{4-[3-(4-bromobenzene-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-[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C718-2688 |
| Compound Name: | 1-(4-{4-[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 591.49 |
| Molecular Formula: | C27 H23 Br N6 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1c2ccccc2n2c(c(nn2)S(c2ccc(cc2)[Br])(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3412 |
| logD: | 5.3412 |
| logSw: | -5.521 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.215 |
| InChI Key: | UBWHLAQIECRVON-UHFFFAOYSA-N |