2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methylphenyl)-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-4-(3-fluorophenyl)-1-(4-methylphenyl)-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-4-(3-fluorophenyl)-1-(4-methylphenyl)-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: | V010-4614 |
| Compound Name: | 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C28 H33 F N4 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cccc(c3)F)SCC(N2CC(NCCOC)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9747 |
| logD: | 4.9747 |
| logSw: | -4.6029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.223 |
| InChI Key: | DCELRUXKKNNJEY-RUZDIDTESA-N |