2-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | C445-0166 |
| Compound Name: | 2-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 555.57 |
| Molecular Formula: | C27 H21 N7 O5 S |
| Smiles: | CC1=CC=CC2=NC(CSc3nc4cc(c(cc4c4nc(c5ccc(cc5)[N+]([O-])=O)nn34)OC)OC)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1534 |
| logD: | 4.1471 |
| logSw: | -4.4111 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.091 |
| InChI Key: | ZMVZCOVWGUBBNK-UHFFFAOYSA-N |