3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0631 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(N2CCc3ccccc3C2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6314 |
| logD: | 4.6308 |
| logSw: | -4.5418 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.799 |
| InChI Key: | YEQKYDYVXAAMDJ-UHFFFAOYSA-N |