2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-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-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-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: | V009-5045 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 549.07 |
| Molecular Formula: | C29 H26 Cl F N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3ccccc3)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8378 |
| logD: | 5.8378 |
| logSw: | -5.967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.609 |
| InChI Key: | UXRRGGVIGOZLIH-MUUNZHRXSA-N |