3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0773 |
| Compound Name: | 3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4161 |
| logD: | 3.4102 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.944 |
| InChI Key: | IJRXVHQOGNQEDR-UHFFFAOYSA-N |