7-chloro-2-({[2-(3-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-chloro-2-({[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-({[2-(3-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: | K280-0206 |
| Compound Name: | 7-chloro-2-({[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 515.94 |
| Molecular Formula: | C24 H14 Cl N7 O3 S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.3718 |
| logD: | 4.3713 |
| logSw: | -4.7069 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.684 |
| InChI Key: | ZPKIJHMMVGNYSN-UHFFFAOYSA-N |