N-(3-cyanophenyl)-2-({5-[(2,9-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-cyanophenyl)-2-({5-[(2,9-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-cyanophenyl)-2-({5-[(2,9-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: | D483-1643 |
| Compound Name: | N-(3-cyanophenyl)-2-({5-[(2,9-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: | 459.53 |
| Molecular Formula: | C23 H21 N7 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(Cc1nnc(n1C)SCC(Nc1cccc(C#N)c1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.6989 |
| logD: | 1.6987 |
| logSw: | -2.5063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.151 |
| InChI Key: | PIGIWAVZUWYRRY-UHFFFAOYSA-N |