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-propylacetamide
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-propylacetamide
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-propylacetamide
Compound characteristics
| Compound ID: | V008-5166 |
| 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-propylacetamide |
| Molecular Weight: | 571.14 |
| Molecular Formula: | C29 H35 Cl N4 O4 S |
| Smiles: | CCCNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(C(C)(C)C)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7525 |
| logD: | 5.7525 |
| logSw: | -5.8514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.754 |
| InChI Key: | MFBWYURWQGKMCH-AREMUKBSSA-N |