2-[1-(2,3-dimethylphenyl)-4-(2-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-(2-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-(2-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: | V020-3210 |
| Compound Name: | 2-[1-(2,3-dimethylphenyl)-4-(2-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(c3ccccc3F)SCC(N2CC(NCc2cccnc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8992 |
| logD: | 5.8968 |
| logSw: | -5.2474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.713 |
| InChI Key: | KETAHHMDSRQBAY-MGBGTMOVSA-N |