3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0781 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)c2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3974 |
| logD: | 4.3968 |
| logSw: | -4.2422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.397 |
| InChI Key: | ORHNZCUOIZGCPJ-UHFFFAOYSA-N |