2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-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-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-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-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-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: | V020-7771 |
| Compound Name: | 2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-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: | 582.72 |
| Molecular Formula: | C33 H34 N4 O4 S |
| Smiles: | Cc1ccccc1C1c2c(c3ccccc3)nn(c3ccc(cc3)OC)c2N(CC(NCC2CCCO2)=O)C(CS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9649 |
| logD: | 4.9649 |
| logSw: | -4.5533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.694 |
| InChI Key: | KWWHGEKBALLEPS-UHFFFAOYSA-N |