2-[1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
2-[1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | V007-9055 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide |
| Molecular Weight: | 565.04 |
| Molecular Formula: | C29 H23 Cl F2 N4 O2 S |
| Smiles: | C1CC1NC(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6887 |
| logD: | 5.6887 |
| logSw: | -5.9531 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.252 |
| InChI Key: | SPULXEWHWCSIDP-MUUNZHRXSA-N |