2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

Chemical Structure Depiction of
2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Available: 2 mg
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mg
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Compound characteristics

Compound ID: V002-4934
Compound Name: 2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Molecular Weight: 565.72
Molecular Formula: C31 H27 N5 O2 S2
Salt: not_available
Smiles: Cc1ccccc1n1c2c(C(c3cccs3)SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1
Stereo: RACEMIC MIXTURE
logP: 4.8774
logD: 4.875
logSw: -4.2554
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 64.731
InChI Key: KBYDPFWBVSAMTK-PMERELPUSA-N
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