ethyl 4-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
ethyl 4-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V012-9890 |
| Compound Name: | ethyl 4-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C27 H29 N7 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)c1c(Cc2ccccc2)c(C)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3545 |
| logD: | 4.3189 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.334 |
| InChI Key: | WBMKHIMJCNMFFC-UHFFFAOYSA-N |