ethyl N-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}phenylalaninate
Chemical Structure Depiction of
ethyl N-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}phenylalaninate
ethyl N-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}phenylalaninate
Compound characteristics
| Compound ID: | V002-0504 |
| Compound Name: | ethyl N-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}phenylalaninate |
| Molecular Weight: | 543.63 |
| Molecular Formula: | C29 H33 N7 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C(Cc1ccccc1)NC(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8915 |
| logD: | 3.8819 |
| logSw: | -3.7584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.106 |
| InChI Key: | PQSFLMDVJSNBEV-VWLOTQADSA-N |