1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0122 |
| Compound Name: | 1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c3ccccc3n2)NCc2ccc(cc2)[Cl])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8757 |
| logD: | 5.8743 |
| logSw: | -6.1443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.306 |
| InChI Key: | XHWLTMJDGAEFRN-UHFFFAOYSA-N |