methyl 4-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Chemical Structure Depiction of
methyl 4-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
methyl 4-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate
Compound characteristics
| Compound ID: | D245-0184 |
| Compound Name: | methyl 4-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butanoate |
| Molecular Weight: | 359.81 |
| Molecular Formula: | C17 H18 Cl N5 O2 |
| Smiles: | Cc1cc(NCCCC(=O)OC)n2c(n1)nc(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 3.061 |
| logD: | 2.9816 |
| logSw: | -3.6551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | SMAVRCMYYQFBMT-UHFFFAOYSA-N |