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-[2-(dimethylamino)ethyl]acetamide
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-[2-(dimethylamino)ethyl]acetamide
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-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V021-1197 |
| 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-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C29 H36 F N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2c(C(C)(C)C)nn(c3ccc(cc3)F)c2N(CC(NCCN(C)C)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7255 |
| logD: | 3.3907 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.746 |
| InChI Key: | CAXXFGXADBZAHU-AREMUKBSSA-N |