N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
Compound characteristics
Compound ID: | K284-3284 |
Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide |
Molecular Weight: | 667.8 |
Molecular Formula: | C32 H37 N5 O7 S2 |
Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 0.1634 |
logD: | 0.1626 |
logSw: | -2.3836 |
Hydrogen bond acceptors count: | 15 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 140.239 |
InChI Key: | NWJHDXHVBHJQQE-UHFFFAOYSA-N |