2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-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-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | V003-9573 |
| Compound Name: | 2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | 566.72 |
| Molecular Formula: | C30 H38 N4 O5 S |
| Smiles: | CC(C)(C)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2576 |
| logD: | 4.2576 |
| logSw: | -4.3382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.093 |
| InChI Key: | USKNNUBYRNKLPY-MUUNZHRXSA-N |