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

Chemical Structure Depiction of
N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Available: 298 mg
Amount:
mg
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Compound characteristics

Compound ID: A0071057
Compound Name: N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Molecular Weight: 695.82
Molecular Formula: C35 H33 N7 O5 S2
Smiles: Cc1c(cccc1[N+]([O-])=O)C(NCc1nnc(n1CCc1ccccc1)SCC(N1C(CC(c2cccs2)=N1)c1ccc(cc1)OC)=O)=O
Stereo: RACEMIC MIXTURE
logP: 6.3659
logD: 6.3658
logSw: -5.6704
Hydrogen bond acceptors count: 13
Hydrogen bond donors count: 1
Polar surface area: 117.872
InChI Key: LOERNWFLPWNXES-SSEXGKCCSA-N
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