2-(4-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
Compound ID: | SA53-0966 |
Compound Name: | 2-(4-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one |
Molecular Weight: | 434.5 |
Molecular Formula: | C23 H26 N6 O3 |
Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(Cc2ccc(cc2)OC)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.1195 |
logD: | 1.1165 |
logSw: | -1.2702 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.144 |
InChI Key: | OEXPVBWMDWECFF-FQEVSTJZSA-N |