2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
Compound ID: | V027-1628 |
Compound Name: | 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
Molecular Weight: | 588.72 |
Molecular Formula: | C33 H34 F2 N4 O2 S |
Salt: | not_available |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccccc3F)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(C(C)(C)C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 7.3536 |
logD: | 7.3536 |
logSw: | -5.5527 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.467 |
InChI Key: | GHDMGLSVDBUYEP-SSEXGKCCSA-N |