2-[1,4-bis(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1,4-bis(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[1,4-bis(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V027-2731 |
| Compound Name: | 2-[1,4-bis(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 566.72 |
| Molecular Formula: | C33 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3cccc(C)c3)c2N(CC(NCC2CCCO2)=O)C(CS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6259 |
| logD: | 5.6259 |
| logSw: | -5.3479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.151 |
| InChI Key: | KHSGATHHMCNQFW-UHFFFAOYSA-N |