methyl 4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)butanoate
Chemical Structure Depiction of
methyl 4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)butanoate
methyl 4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)butanoate
Compound characteristics
| Compound ID: | D245-0629 |
| Compound Name: | methyl 4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)butanoate |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C18 H20 Cl N5 O2 |
| Smiles: | Cc1cc(NCCCC(=O)OC)n2c(n1)nc(Cc1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 2.8064 |
| logD: | 2.7841 |
| logSw: | -3.58 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.845 |
| InChI Key: | HHGZQFBSUOTYAY-UHFFFAOYSA-N |