N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-4630 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 615.75 |
| Molecular Formula: | C33 H37 N5 O5 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(N2CCN(CC2)c2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4981 |
| logD: | 2.4981 |
| logSw: | -3.1133 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.976 |
| InChI Key: | PNVUHEYEQMVKRI-UHFFFAOYSA-N |