methyl 6-{[2-(4-tert-butylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
Chemical Structure Depiction of
methyl 6-{[2-(4-tert-butylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
methyl 6-{[2-(4-tert-butylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate
Compound characteristics
| Compound ID: | D245-0250 |
| Compound Name: | methyl 6-{[2-(4-tert-butylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}hexanoate |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | Cc1cc(NCCCCCC(=O)OC)n2c(n1)nc(c1ccc(cc1)C(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.9321 |
| logD: | 4.8527 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.854 |
| InChI Key: | MVQWIRCCVADMBH-UHFFFAOYSA-N |