6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4102 |
| Compound Name: | 6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 487.42 |
| Molecular Formula: | C22 H23 Br N4 O2 S |
| Smiles: | C(CC(N1CCN(CC1)c1ccccc1)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5291 |
| logD: | 3.4642 |
| logSw: | -3.8156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | CEMHQPKHFBOQRE-UHFFFAOYSA-N |