N-[3-(azepan-1-yl)propyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-[3-(azepan-1-yl)propyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-3995 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C25 H29 Br N4 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5943 |
| logD: | 2.0236 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.886 |
| InChI Key: | KHPDBPXQGMJRIA-UHFFFAOYSA-N |