3-tert-butyl-1-(2,4-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Chemical Structure Depiction of
3-tert-butyl-1-(2,4-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 13 mg
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mg
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Compound characteristics

Compound ID: V020-7804
Compound Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 534.7
Molecular Formula: C30 H35 F N4 O2 S
Smiles: Cc1ccc(c(C)c1)n1c2c(C(c3cccc(c3)F)SCC(N2CC(N2CCCC2)=O)=O)c(C(C)(C)C)n1
Stereo: RACEMIC MIXTURE
logP: 6.4489
logD: 6.4489
logSw: -5.5906
Hydrogen bond acceptors count: 6
Polar surface area: 46.754
InChI Key: UGTKJADEAIGFSA-HHHXNRCGSA-N
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