methyl 4-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
Chemical Structure Depiction of
methyl 4-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
methyl 4-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
Compound characteristics
| Compound ID: | D245-0063 |
| Compound Name: | methyl 4-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | Cc1cc(NCCCC(=O)OC)n2c(n1)nc(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.3612 |
| logD: | 2.2818 |
| logSw: | -2.8838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | HHSYZZKLZKMDAF-UHFFFAOYSA-N |