3-[2-(cyclohex-1-en-1-yl)ethyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0071 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 412.29 |
| Molecular Formula: | C16 H17 I N2 O S |
| Smiles: | C1CCC(CCN2C(c3cc(ccc3NC2=S)I)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3393 |
| logD: | 5.2603 |
| logSw: | -5.4906 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.4884 |
| InChI Key: | ZBDKYRFOZUAFFG-UHFFFAOYSA-N |