3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0402 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CN1CCN(CC1)C(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5802 |
| logD: | 2.4489 |
| logSw: | -3.2613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.613 |
| InChI Key: | VSIKDGJUTHTEKC-UHFFFAOYSA-N |