2-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-7-oxo-3-phenyl-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-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-7-oxo-3-phenyl-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: | V010-4606 |
| Compound Name: | 2-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 584.71 |
| Molecular Formula: | C33 H33 F N4 O3 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)F)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5752 |
| logD: | 5.5752 |
| logSw: | -5.3928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.85 |
| InChI Key: | XCVVDLXNPRNSRD-UHFFFAOYSA-N |