4-({2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
4-({2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7229 |
| Compound Name: | 4-({2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C33 H36 N4 O4 S |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)SC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NCC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1646 |
| logD: | 4.1646 |
| logSw: | -4.2056 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.524 |
| InChI Key: | UJAGDOINBKEFSD-UHFFFAOYSA-N |