methyl 6-{[5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
Chemical Structure Depiction of
methyl 6-{[5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
methyl 6-{[5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
Compound characteristics
| Compound ID: | D245-0445 |
| Compound Name: | methyl 6-{[5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | Cc1cccc(c1)c1nc2nc(C)cc(NCCCCCC(=O)OC)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5069 |
| logD: | 3.4275 |
| logSw: | -3.4527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | UKAQVDLCXIQDFT-UHFFFAOYSA-N |