1-benzyl-4-(3-methoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
Chemical Structure Depiction of
1-benzyl-4-(3-methoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
1-benzyl-4-(3-methoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
Compound characteristics
Compound ID: | SA53-0243 |
Compound Name: | 1-benzyl-4-(3-methoxybenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane |
Molecular Weight: | 441.55 |
Molecular Formula: | C22 H27 N5 O3 S |
Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)S(c2cccc(c2)OC)(=O)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6277 |
logD: | 2.627 |
logSw: | -3.0949 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.555 |
InChI Key: | VFCPSQMHVXOHCI-NRFANRHFSA-N |