2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V004-4357 |
| Compound Name: | 2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 568.72 |
| Molecular Formula: | C31 H28 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccsc3)SCC(N2CC(NCc2ccco2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4539 |
| logD: | 6.4539 |
| logSw: | -5.7737 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.962 |
| InChI Key: | WPHVGFXIBROVOM-PMERELPUSA-N |