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
2-({[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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: | K280-0205 |
| Compound Name: | 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: | 481.49 |
| Molecular Formula: | C24 H15 N7 O3 S |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.1767 |
| logD: | 4.1762 |
| logSw: | -4.5681 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.165 |
| InChI Key: | XRSNQUNOFHHWIM-UHFFFAOYSA-N |