2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V003-9332 |
| Compound Name: | 2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 656.8 |
| Molecular Formula: | C35 H33 F N4 O4 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1473 |
| logD: | 6.1473 |
| logSw: | -5.5789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.475 |
| InChI Key: | ZOMAFVYCSNMDOX-UMSFTDKQSA-N |