N-(3-chloro-4-fluorophenyl)-2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D483-1309 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C22 H20 Cl F N6 O2 S |
| Smiles: | CC1C=CC2=NC(C)=C(Cc3nnc(n3C)SCC(Nc3ccc(c(c3)[Cl])F)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5812 |
| logD: | 2.573 |
| logSw: | -3.4113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.593 |
| InChI Key: | VMHNRIRCMGEDKD-UHFFFAOYSA-N |