N-(2-chloro-4-methylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2-chloro-4-methylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-0100 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(C)cc3[Cl])=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6739 |
| logD: | 3.6406 |
| logSw: | -3.9502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.175 |
| InChI Key: | TWOGHYKVSFEYSV-UHFFFAOYSA-N |