2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-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-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-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: | V027-2748 |
| Compound Name: | 2-[3-tert-butyl-1,4-bis(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C31 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(C(C)(C)C)nn(c3cccc(C)c3)c2N(CC(NCc2ccco2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9134 |
| logD: | 6.9134 |
| logSw: | -5.5865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.516 |
| InChI Key: | KXYJVNZHFIFGEF-MUUNZHRXSA-N |