5-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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: | G216-0322 |
| Compound Name: | 5-(3,5-dimethylphenyl)-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: | 526.66 |
| Molecular Formula: | C30 H30 N4 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(NCc2ccccc2OC)=O)c2c(C)nn(c3ccccc3)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0853 |
| logD: | 5.0853 |
| logSw: | -4.8818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.756 |
| InChI Key: | SJOPAXGBDMWFDZ-NDEPHWFRSA-N |