7-bromo-2-[({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-[({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
7-bromo-2-[({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K784-5899 |
| Compound Name: | 7-bromo-2-[({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 541.86 |
| Molecular Formula: | C23 H18 Br Cl N6 O S |
| Smiles: | Cc1c(Cc2ccc(cc2)[Cl])c(C)n2c(n1)nc(n2)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0719 |
| logD: | 4.0719 |
| logSw: | -4.4398 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.06 |
| InChI Key: | RNYHFFDRMDAXMW-UHFFFAOYSA-N |