2-[3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-3041 |
| Compound Name: | 2-[3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C28 H33 F N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccccc2C)c2c(C(C)(C)C)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6155 |
| logD: | 5.6155 |
| logSw: | -5.3225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.881 |
| InChI Key: | LQYOIUQEEQHUBK-RUZDIDTESA-N |