6-bromo-3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4152 |
| Compound Name: | 6-bromo-3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C25 H29 Br N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6431 |
| logD: | 4.5779 |
| logSw: | -4.3184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.493 |
| InChI Key: | VADHDQDMBYHNSP-UHFFFAOYSA-N |