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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V014-4125 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 542.69 |
| Molecular Formula: | C27 H31 F N4 O3 S2 |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCC3CCCO3)=O)c2n(c2cccc(c2)F)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2387 |
| logD: | 4.2387 |
| logSw: | -4.2742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.44 |
| InChI Key: | KDEZZCYIMURRKM-UHFFFAOYSA-N |