3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0212 |
| Compound Name: | 3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 248.34 |
| Molecular Formula: | C13 H16 N2 O S |
| Smiles: | CC(C)CCN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4358 |
| logD: | 3.4347 |
| logSw: | -3.8164 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5678 |
| InChI Key: | LSEHNDFJELIFPG-UHFFFAOYSA-N |