2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V002-2138 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 519.57 |
| Molecular Formula: | C27 H23 F2 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cn1c2c(C(c3ccc(cc3F)F)SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.39 |
| logD: | 3.3876 |
| logSw: | -3.6738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.436 |
| InChI Key: | PUPHQQQYVAUJHH-AREMUKBSSA-N |