N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3277 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C29 H32 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NCc2ccco2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7787 |
| logD: | 1.7787 |
| logSw: | -2.6877 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.544 |
| InChI Key: | HEUVXUMCABEHOP-UHFFFAOYSA-N |