2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V030-6113 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 555.09 |
| Molecular Formula: | C27 H24 Cl F N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(cc2)F)c2c(c3cccs3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7178 |
| logD: | 5.7178 |
| logSw: | -5.9918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.327 |
| InChI Key: | VUNOADMGVVHKKT-AREMUKBSSA-N |