1-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperidine-4-carboxamide
1-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-4026 |
| Compound Name: | 1-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperidine-4-carboxamide |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C22 H21 Br N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5907 |
| logD: | 2.569 |
| logSw: | -3.2631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.025 |
| InChI Key: | NFGJGDWDGMTBKP-UHFFFAOYSA-N |