2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(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-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(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-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(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: | V018-0837 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(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: | 594.7 |
| Molecular Formula: | C30 H28 F2 N4 O3 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2cccs2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2741 |
| logD: | 5.2741 |
| logSw: | -5.1093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.868 |
| InChI Key: | HHQKHKMLFULKTD-UHFFFAOYSA-N |