methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1661 |
| Compound Name: | methyl 2-({[6-(ethoxycarbonyl)-2H,4H-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 569.63 |
| Molecular Formula: | C28 H31 N3 O8 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2CCN2CCOCC2)=O)C(=O)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4942 |
| logD: | 3.4306 |
| logSw: | -3.6742 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.457 |
| InChI Key: | JTZLCSMWEDLTAB-UHFFFAOYSA-N |