7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0916 |
| Compound Name: | 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C27 H25 Cl N4 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5779 |
| logD: | 4.5778 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.857 |
| InChI Key: | HNTFFWSCAWQDFJ-UHFFFAOYSA-N |