7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060872 |
| Compound Name: | 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C19 H26 N4 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5341 |
| logD: | 2.4029 |
| logSw: | -3.1376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.693 |
| InChI Key: | XXXHSUZCFXYAKG-UHFFFAOYSA-N |