methyl 2-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
methyl 2-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V014-6186 |
| Compound Name: | methyl 2-{[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C26 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(N2CCN(CC2)C(Nc2ccccc2C(=O)OC)=O)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8737 |
| logD: | 3.8373 |
| logSw: | -4.2246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.057 |
| InChI Key: | LYLLUJPKQHPDRB-UHFFFAOYSA-N |