1-[4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoyl]piperidine-4-carboxamide
1-[4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-4097 |
| Compound Name: | 1-[4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoyl]piperidine-4-carboxamide |
| Molecular Weight: | 453.36 |
| Molecular Formula: | C18 H21 Br N4 O3 S |
| Smiles: | C(CC(N1CCC(CC1)C(N)=O)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2735 |
| logD: | 1.2086 |
| logSw: | -2.3787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.748 |
| InChI Key: | DYEJGFXZQBXZLW-UHFFFAOYSA-N |