3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6940 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C28 H32 N4 O6 S |
| Smiles: | CCC(C(N1CCOCC1)=O)SC1=Nc2ccc(cc2C(N1Cc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0925 |
| logD: | 3.0924 |
| logSw: | -3.4121 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.076 |
| InChI Key: | LKTFZCAVQRGJCW-VWLOTQADSA-N |