N-[(2-methoxyphenyl)methyl]-3-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-3-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
N-[(2-methoxyphenyl)methyl]-3-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Compound characteristics
| Compound ID: | G216-0309 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-3-methyl-5-[(4-methylphenyl)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: | Cc1ccc(CN2C(C(NCc3ccccc3OC)=O)c3c(C)nn(c4ccccc4)c3SCC2=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5144 |
| logD: | 4.5144 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.367 |
| InChI Key: | GONKTWKQGGHNPH-NDEPHWFRSA-N |