2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V021-1226 |
| Compound Name: | 2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 498.59 |
| Molecular Formula: | C26 H28 F2 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccc(cc3)F)SCC(N(CC(NCc3ccc(cc3)F)=O)c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4397 |
| logD: | 4.4397 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.189 |
| InChI Key: | KEGDSBLFASIRQN-HSZRJFAPSA-N |