5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(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
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(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: | G216-0729 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C30 H28 N4 O4 S |
| Smiles: | Cc1ccc(CNC(C2c3c(C)nn(c4ccccc4)c3SCC(N2c2ccc3c(c2)OCCO3)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3231 |
| logD: | 3.3231 |
| logSw: | -3.5844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.948 |
| InChI Key: | PBXSJTYDPPCMPY-NDEPHWFRSA-N |