2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V010-2657 |
| Compound Name: | 2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C33 H30 N4 O3 S |
| Smiles: | Cc1ccccc1C1c2c(c3ccccc3)nn(c3ccccc3C)c2N(CC(NCc2ccco2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6625 |
| logD: | 6.6624 |
| logSw: | -5.6979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.944 |
| InChI Key: | OAFKQFQZCPXNOB-JGCGQSQUSA-N |