2-[1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V026-0371 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 607.13 |
| Molecular Formula: | C31 H31 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | COCCNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0271 |
| logD: | 5.0271 |
| logSw: | -5.2374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.825 |
| InChI Key: | AFUFOXPZUQZMGZ-SSEXGKCCSA-N |