2-[4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-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-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-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: | V003-8804 |
| Compound Name: | 2-[4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 608.72 |
| Molecular Formula: | C34 H32 N4 O5 S |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCc2ccco2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5207 |
| logD: | 6.5207 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.419 |
| InChI Key: | ZQRBUTQXKJWHSK-MGBGTMOVSA-N |