ethyl 3-({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
ethyl 3-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
ethyl 3-({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: | V002-8568 |
| Compound Name: | ethyl 3-({4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C27 H29 N7 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1cccc(c1)NC(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.307 |
| logD: | 4.2974 |
| logSw: | -4.0646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.154 |
| InChI Key: | HFCJCLOWSHRGBQ-UHFFFAOYSA-N |