2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V019-5147 |
| Compound Name: | 2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C25 H27 F N4 O2 S |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccccc3F)SCC(N2CC(N)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6757 |
| logD: | 4.6757 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.655 |
| InChI Key: | YNXWFVDXXXMKOJ-JOCHJYFZSA-N |