2-[4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-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-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-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: | V001-0930 |
| Compound Name: | 2-[4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 626.78 |
| Molecular Formula: | C35 H38 N4 O5 S |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8321 |
| logD: | 5.8321 |
| logSw: | -5.4232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.024 |
| InChI Key: | NCFAIFNBTAKETL-UHFFFAOYSA-N |