2-[4-(3,4-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-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[4-(3,4-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-(3-methoxypropyl)acetamide
2-[4-(3,4-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-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V026-1787 |
| Compound Name: | 2-[4-(3,4-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-(3-methoxypropyl)acetamide |
| Molecular Weight: | 614.76 |
| Molecular Formula: | C34 H38 N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc(c(c3)OC)OC)SCC(N2CC(NCCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.435 |
| logD: | 5.435 |
| logSw: | -5.3061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.912 |
| InChI Key: | XTUGXBQCVKEDGP-MGBGTMOVSA-N |