N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}propanamide
Compound characteristics
| Compound ID: | K284-4049 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}propanamide |
| Molecular Weight: | 653.78 |
| Molecular Formula: | C31 H35 N5 O7 S2 |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.4166 |
| logD: | 0.4159 |
| logSw: | -2.4007 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 140.239 |
| InChI Key: | FJTQFDAOHBUUDO-UHFFFAOYSA-N |