2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V021-1214 |
| Compound Name: | 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 580.75 |
| Molecular Formula: | C31 H40 N4 O5 S |
| Smiles: | CC(C)CNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(C(C)(C)C)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7416 |
| logD: | 5.7416 |
| logSw: | -5.4001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.757 |
| InChI Key: | VFEQAQWVRHXKOJ-MUUNZHRXSA-N |