[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
Compound ID: | SA53-0304 |
Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone |
Molecular Weight: | 393.49 |
Molecular Formula: | C21 H27 N7 O |
Smiles: | CCn1c(ccn1)C(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4437 |
logD: | 1.4421 |
logSw: | -1.9502 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.038 |
InChI Key: | SIMSADKZDUQOEF-IBGZPJMESA-N |