methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
Chemical Structure Depiction of
methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
Compound characteristics
| Compound ID: | G866-0278 |
| Compound Name: | methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C24 H23 N7 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)C(c2ccccc2C(=O)OC)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8022 |
| logD: | 2.8022 |
| logSw: | -3.2264 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.255 |
| InChI Key: | OOHMTATUGGOCIP-UHFFFAOYSA-N |