5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Compound characteristics
| Compound ID: | G216-0292 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C29 H27 F N4 O3 S |
| Smiles: | Cc1c2C(C(NCc3ccccc3OC)=O)N(Cc3ccc(cc3)F)C(CSc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1201 |
| logD: | 4.1201 |
| logSw: | -4.2787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.367 |
| InChI Key: | XSSZFPMAJKVNOI-MHZLTWQESA-N |