N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D483-1810 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 472.93 |
| Molecular Formula: | C21 H18 Cl F N6 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2ccc(c(c2)[Cl])F)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.277 |
| logD: | 2.2688 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.074 |
| InChI Key: | DSGVZSOQNHJEDB-UHFFFAOYSA-N |