6-bromo-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4156 |
| Compound Name: | 6-bromo-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 516.46 |
| Molecular Formula: | C23 H26 Br N5 O2 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ccccn1)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2068 |
| logD: | 4.1331 |
| logSw: | -4.1204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.46 |
| InChI Key: | AZYJPSPPADXKDY-UHFFFAOYSA-N |