methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0404 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC3CCCCC=3)C(=Nc2c1)SCC(N1CCCc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2462 |
| logD: | 5.2462 |
| logSw: | -5.0488 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.172 |
| InChI Key: | HTUUXRPYBSXCOP-UHFFFAOYSA-N |