2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V010-4623 |
| Compound Name: | 2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 511.09 |
| Molecular Formula: | C27 H31 Cl N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1879 |
| logD: | 5.1879 |
| logSw: | -5.566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.576 |
| InChI Key: | LCEUYIAJMXZJTA-RUZDIDTESA-N |