2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-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-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-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: | V010-8723 |
| Compound Name: | 2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 657.19 |
| Molecular Formula: | C35 H33 Cl N4 O5 S |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccccc3[Cl])SCC(N2CC(NCc2ccco2)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0271 |
| logD: | 7.0271 |
| logSw: | -6.4516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.205 |
| InChI Key: | FPPNZRRLMHCYIA-UUWRZZSWSA-N |