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-(3-methoxypropyl)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-(3-methoxypropyl)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-(3-methoxypropyl)acetamide
Compound characteristics
Compound ID: | V019-0958 |
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-(3-methoxypropyl)acetamide |
Molecular Weight: | 552.71 |
Molecular Formula: | C30 H37 F N4 O3 S |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccccc3F)SCC(N2CC(NCCCOC)=O)=O)c(C(C)(C)C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.858 |
logD: | 5.858 |
logSw: | -5.3515 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.922 |
InChI Key: | BSEBYHWQBRWGJO-HHHXNRCGSA-N |