N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-2-({2-oxo-2-[(2-phenylethyl)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-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3278 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 588.73 |
| Molecular Formula: | C32 H36 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8028 |
| logD: | 1.8028 |
| logSw: | -2.7332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.636 |
| InChI Key: | XJZFSHOIADEIGB-UHFFFAOYSA-N |