1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0192 |
| Compound Name: | 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C29 H31 N5 O2 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSc1nc(c2ccccc2n1)NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.254 |
| logD: | 5.2501 |
| logSw: | -5.327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.673 |
| InChI Key: | OBYLFUUHGAWZMQ-UHFFFAOYSA-N |