2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0526 |
| Compound Name: | 2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | COc1ccc(CNc2c3ccccc3nc(n2)SCC(N2CCN(CC2)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.879 |
| logD: | 4.8742 |
| logSw: | -4.7644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.046 |
| InChI Key: | MMBLBLMVUSLPIK-UHFFFAOYSA-N |