methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0164 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Smiles: | Cc1ccc(CSC2=Nc3cc(ccc3C(N2CCC2CCCCC=2)=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5601 |
| logD: | 5.5601 |
| logSw: | -5.2754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.115 |
| InChI Key: | OGGDFLGNACIZLR-UHFFFAOYSA-N |