methyl 4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Chemical Structure Depiction of
methyl 4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
methyl 4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Compound characteristics
| Compound ID: | D245-0128 |
| Compound Name: | methyl 4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | Cc1ccc(cc1)c1nc2nc(C)cc(NCCCC(=O)OC)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8897 |
| logD: | 2.8103 |
| logSw: | -3.2934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | NCFNHDRLYFTGPV-UHFFFAOYSA-N |