2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V003-8841 |
| Compound Name: | 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 601.17 |
| Molecular Formula: | C30 H37 Cl N4 O5 S |
| Smiles: | CC(C)(C)c1c2C(c3cc(ccc3OC)OC)SCC(N(CC(NCCCOC)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.219 |
| logD: | 5.219 |
| logSw: | -5.6558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.096 |
| InChI Key: | XTEVMEZRFSOZCI-HHHXNRCGSA-N |