methyl 2-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
methyl 2-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | V002-8520 |
| Compound Name: | methyl 2-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C26 H27 N7 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1NC(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6456 |
| logD: | 3.6352 |
| logSw: | -3.7104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.876 |
| InChI Key: | WBLMVTSBTVMZBM-UHFFFAOYSA-N |