7-chloro-2-({[8,9-dimethoxy-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-chloro-2-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-({[8,9-dimethoxy-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: | C445-0129 |
| Compound Name: | 7-chloro-2-({[8,9-dimethoxy-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: | 575.99 |
| Molecular Formula: | C26 H18 Cl N7 O5 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0417 |
| logD: | 4.0354 |
| logSw: | -4.5769 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.945 |
| InChI Key: | REFUEKJAFQUCGC-UHFFFAOYSA-N |