5-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | G216-0327 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-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: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Smiles: | Cc1c2C(C(NCc3ccccc3OC)=O)N(C(CSc2n(c2ccccc2)n1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9816 |
| logD: | 3.9816 |
| logSw: | -4.079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.871 |
| InChI Key: | QAVGBGHLKPXOAM-MHZLTWQESA-N |