N-benzyl-4-({4-oxo-2-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-({4-oxo-2-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({4-oxo-2-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4729 |
| Compound Name: | N-benzyl-4-({4-oxo-2-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 583.75 |
| Molecular Formula: | C33 H37 N5 O3 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)SC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.221 |
| logD: | 4.2186 |
| logSw: | -4.0949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.579 |
| InChI Key: | JZCDKDBXHJKITK-UHKCJNMRSA-N |