3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1132 |
| Compound Name: | 3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H27 N5 O2 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ccccn1)=O)CCN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3671 |
| logD: | 3.3571 |
| logSw: | -3.7246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.46 |
| InChI Key: | ZXRDGHVBTYQWSE-UHFFFAOYSA-N |