N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

Chemical Structure Depiction of
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Available: 409 mg
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mg
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Compound characteristics

Compound ID: A0070561
Compound Name: N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Molecular Weight: 679.59
Molecular Formula: C31 H31 Br N6 O5 S
Smiles: Cn1c(CNC(c2cc(cc(c2)OC)OC)=O)nnc1SCC(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(cc1)OC)=O
Stereo: RACEMIC MIXTURE
logP: 5.1616
logD: 5.1616
logSw: -5.0359
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 99.964
InChI Key: JHNBCICWTRKNAP-HHHXNRCGSA-N
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