7-(4-cyclohexylpiperazine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4-cyclohexylpiperazine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4-cyclohexylpiperazine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0525 |
| Compound Name: | 7-(4-cyclohexylpiperazine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | COCCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.283 |
| logD: | 2.1202 |
| logSw: | -3.1077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.652 |
| InChI Key: | CQVNASOHSOFBAF-UHFFFAOYSA-N |