2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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: | V003-9248 |
| Compound Name: | 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 605.17 |
| Molecular Formula: | C33 H34 Cl F N4 O2 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.658 |
| logD: | 7.658 |
| logSw: | -6.3477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.467 |
| InChI Key: | PQBBZRJUYZDSNH-SSEXGKCCSA-N |