2-[3-tert-butyl-1-(3-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-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-(3-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-1-(3-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V007-3844 |
| Compound Name: | 2-[3-tert-butyl-1-(3-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C25 H29 F N4 O3 S2 |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCCOC)=O)c2n(c2cccc(c2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1172 |
| logD: | 4.1172 |
| logSw: | -4.2381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.242 |
| InChI Key: | HHLJJURSYFXUMT-QFIPXVFZSA-N |