1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one
1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0498 |
| Compound Name: | 1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c3ccccc3n2)NCc2ccc(cc2)OC)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2633 |
| logD: | 5.262 |
| logSw: | -5.3396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.85 |
| InChI Key: | ORBSULRTTHGNCY-UHFFFAOYSA-N |