3,5-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide

Chemical Structure Depiction of
3,5-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: V018-1657
Compound Name: 3,5-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide
Molecular Weight: 622.5
Molecular Formula: C30 H22 Cl2 F N5 O3 S
Salt: not_available
Smiles: C(C(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)F)NC(c1cc(cc(c1)[Cl])[Cl])=O)c1ccccc1
Stereo: RACEMIC MIXTURE
logP: 7.1377
logD: 7.1331
logSw: -6.5845
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 82.138
InChI Key: XMPCNFXCLKFGLB-MHZLTWQESA-N
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