N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V009-5010 |
| Compound Name: | N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 572.66 |
| Molecular Formula: | C31 H29 F N4 O4 S |
| Smiles: | COc1ccc(c(c1)C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(NC2CC2)=O)C(CS1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1983 |
| logD: | 5.1983 |
| logSw: | -5.0397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.727 |
| InChI Key: | JLQGYSHCASHSCE-SSEXGKCCSA-N |