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

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

Compound ID: V019-6599
Compound Name: 2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Molecular Weight: 545.73
Molecular Formula: C29 H31 N5 O2 S2
Salt: not_available
Smiles: Cc1cccc(c1)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccncc2)=O)=O)c(C(C)(C)C)n1
Stereo: RACEMIC MIXTURE
logP: 4.8496
logD: 4.8462
logSw: -4.4752
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 65.214
InChI Key: YRLBXERRYOMYPP-SANMLTNESA-N
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