2-[3-tert-butyl-1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V010-4634 |
| Compound Name: | 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C27 H30 Cl F N4 O3 S |
| Smiles: | CC(C)(C)c1c2C(c3ccc(cc3)F)SCC(N(CC(NCCOC)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.923 |
| logD: | 4.923 |
| logSw: | -4.9518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.922 |
| InChI Key: | IOFREJCOWULWPV-XMMPIXPASA-N |