2-({[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K784-3412 |
| Compound Name: | 2-({[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 603.65 |
| Molecular Formula: | C30 H29 N5 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(c2cc(c(c(c2)OC)OC)OC)nnc(n1)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 3.218 |
| logSw: | -3.4703 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.327 |
| InChI Key: | XHCMYJBOWIDOMS-UHFFFAOYSA-N |