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-(propan-2-yl)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-(propan-2-yl)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-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V023-4065 |
| 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-(propan-2-yl)acetamide |
| Molecular Weight: | 619.18 |
| Molecular Formula: | C33 H35 Cl N4 O4 S |
| Smiles: | CC(C)NC(CN1C(CSC(c2ccccc2[Cl])c2c(c3c(cccc3OC)OC)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3614 |
| logD: | 6.3614 |
| logSw: | -6.2314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.702 |
| InChI Key: | RIMQTQPMJXYGIZ-JGCGQSQUSA-N |