3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0316 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | C1CCN(CC1)C(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7621 |
| logD: | 3.7615 |
| logSw: | -3.958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.137 |
| InChI Key: | HSOCMOQDYIYDJT-UHFFFAOYSA-N |