2-[1,3-di-tert-butyl-4-(3-chlorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[1,3-di-tert-butyl-4-(3-chlorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[1,3-di-tert-butyl-4-(3-chlorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V027-3484 |
| Compound Name: | 2-[1,3-di-tert-butyl-4-(3-chlorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 491.1 |
| Molecular Formula: | C25 H35 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCNC(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(c12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2486 |
| logD: | 5.2486 |
| logSw: | -5.5933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.848 |
| InChI Key: | HXRGAROUTWCBHK-OAQYLSRUSA-N |