N-[2-(4-methoxyphenyl)ethyl]-4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)ethyl]-4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carboxamide
N-[2-(4-methoxyphenyl)ethyl]-4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V002-8566 |
| Compound Name: | N-[2-(4-methoxyphenyl)ethyl]-4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 501.59 |
| Molecular Formula: | C27 H31 N7 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(N2CCCN(CC2)c2c(cnc3ncnn23)c2ccc(cc2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5514 |
| logD: | 3.5418 |
| logSw: | -3.5653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.107 |
| InChI Key: | QRDBNNRWVWRJSB-UHFFFAOYSA-N |