7-bromo-2-({[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-({[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-bromo-2-({[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K280-0291 |
| Compound Name: | 7-bromo-2-({[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 560.39 |
| Molecular Formula: | C24 H14 Br N7 O3 S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Br])=O)Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.4919 |
| logD: | 4.4865 |
| logSw: | -4.6386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.684 |
| InChI Key: | QQPGNJYDEPWXFH-UHFFFAOYSA-N |