2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V004-6616 |
| Compound Name: | 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 571.11 |
| Molecular Formula: | C29 H32 Cl F N4 O3 S |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3[Cl])SCC(N(CC(NCC3CCCO3)=O)c2n(c2cccc(c2)F)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1917 |
| logD: | 5.1917 |
| logSw: | -5.574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.422 |
| InChI Key: | NWPVCUHYYCAJLK-UHFFFAOYSA-N |