3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(butylamino)-1-oxobutan-2-yl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(butylamino)-1-oxobutan-2-yl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(butylamino)-1-oxobutan-2-yl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3805 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(butylamino)-1-oxobutan-2-yl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C28 H34 N4 O6 S |
| Smiles: | CCCCNC(C(CC)SC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(NCCOC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9282 |
| logD: | 3.9282 |
| logSw: | -3.9857 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.553 |
| InChI Key: | HABPCXDICGLYID-DEOSSOPVSA-N |