2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]quinazolin-4(3H)-one
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0624 |
| Compound Name: | 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C26 H22 N2 O5 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3ccccc3C(N2Cc2ccc3c(c2)OCO3)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3191 |
| logD: | 4.3191 |
| logSw: | -4.3802 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.344 |
| InChI Key: | SEBAFZCBWKPNKA-UHFFFAOYSA-N |