N-[(furan-2-yl)methyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-[(furan-2-yl)methyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V027-2772 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C33 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3ccc(cc3)OC)c2N(CC(NCc2ccco2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.41 |
| logD: | 6.41 |
| logSw: | -5.6771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.789 |
| InChI Key: | WFXAUPVLQSWBKA-JGCGQSQUSA-N |