1-(3-{[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one
Chemical Structure Depiction of
1-(3-{[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one
1-(3-{[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | C718-2660 |
| Compound Name: | 1-(3-{[3-(4-bromobenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C22 H21 Br N6 O3 S |
| Smiles: | C1CC(N(C1)CCCNc1c2ccccc2n2c(c(nn2)S(c2ccc(cc2)[Br])(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2474 |
| logD: | 3.2474 |
| logSw: | -3.5374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.971 |
| InChI Key: | ALPBOUKITXBOCV-UHFFFAOYSA-N |