2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0484 |
| Compound Name: | 2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C30 H33 N5 O3 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCC(N2CCN(CC2)c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7703 |
| logD: | 4.7664 |
| logSw: | -4.7806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.604 |
| InChI Key: | MBHBWPHAZKNDOI-UHFFFAOYSA-N |