1-(4-chlorophenyl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
1-(4-chlorophenyl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0532 |
| Compound Name: | 1-(4-chlorophenyl)-2-[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | COc1ccc(CNc2c3ccccc3nc(n2)SCC(c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7028 |
| logD: | 5.7025 |
| logSw: | -6.0913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.64 |
| InChI Key: | QEDRPRROQBMECT-UHFFFAOYSA-N |