N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V007-8272 |
| Compound Name: | N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 582.72 |
| Molecular Formula: | C33 H34 N4 O4 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccc(c(c3)OC)OC)SCC(N2CC(NC2CC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5889 |
| logD: | 5.5889 |
| logSw: | -5.475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.512 |
| InChI Key: | ZXKLBIBIMZPDMM-JGCGQSQUSA-N |