2-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-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-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-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-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-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: | V020-3227 |
Compound Name: | 2-[1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-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: | 591.71 |
Molecular Formula: | C34 H30 F N5 O2 S |
Salt: | not_available |
Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)F)SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8919 |
logD: | 5.8895 |
logSw: | -5.3203 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.713 |
InChI Key: | QDLZEJNMFMBPTB-MGBGTMOVSA-N |