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
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
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 |