ethyl 8-[({3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-[({3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-[({3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-0568 |
| Compound Name: | ethyl 8-[({3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3ccccc3C(N2CCC2CCCCC=2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5881 |
| logD: | 5.5881 |
| logSw: | -5.3198 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.584 |
| InChI Key: | YKYJHAPKQBFSMZ-UHFFFAOYSA-N |