1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0785 |
| Compound Name: | 1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c3ccccc3n2)NCc2ccc3c(c2)OCO3)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1941 |
| logD: | 5.1927 |
| logSw: | -5.253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.422 |
| InChI Key: | QNYZTZRJZOTEPT-UHFFFAOYSA-N |