2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-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-(2H-1,3-benzodioxol-5-yl)-1-(2,3-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-(2H-1,3-benzodioxol-5-yl)-1-(2,3-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: | V020-3037 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-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: | 598.72 |
| Molecular Formula: | C33 H34 N4 O5 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2CC(NCCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5279 |
| logD: | 5.5279 |
| logSw: | -5.3863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.766 |
| InChI Key: | RWTUUFAOJUESDA-JGCGQSQUSA-N |