7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0845 |
| Compound Name: | 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0161 |
| logD: | 3.8536 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.69 |
| InChI Key: | LQNZWCBKCHCYQU-UHFFFAOYSA-N |