3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6413 |
| Compound Name: | 3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 551.71 |
| Molecular Formula: | C29 H37 N5 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCCCCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3952 |
| logD: | 3.3932 |
| logSw: | -3.8259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.854 |
| InChI Key: | MQDZRZRAAGVCGQ-UHFFFAOYSA-N |