N-[(furan-2-yl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
N-[(furan-2-yl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4781 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 637.78 |
| Molecular Formula: | C31 H35 N5 O6 S2 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4879 |
| logD: | 2.4872 |
| logSw: | -2.9294 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 133.041 |
| InChI Key: | KAFBOYVVERDHGR-UHFFFAOYSA-N |