methyl 4-{[5-methyl-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Chemical Structure Depiction of
methyl 4-{[5-methyl-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
methyl 4-{[5-methyl-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Compound characteristics
| Compound ID: | D245-0378 |
| Compound Name: | methyl 4-{[5-methyl-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | Cc1ccccc1c1nc2nc(C)cc(NCCCC(=O)OC)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5497 |
| logD: | 2.2222 |
| logSw: | -2.9038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | HGIYPVIREJUNPH-UHFFFAOYSA-N |