N-[(2-chlorophenyl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3411 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 583.15 |
| Molecular Formula: | C30 H35 Cl N4 O4 S |
| Smiles: | C1CC(CNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCc2ccccc2[Cl])=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8394 |
| logD: | 3.8394 |
| logSw: | -4.2838 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | DTIDDYPYQDYPGA-YDPRHXJPSA-N |