4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-4023 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide |
| Molecular Weight: | 498.44 |
| Molecular Formula: | C24 H24 Br N3 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc(CN3C(c4cc(ccc4NC3=S)[Br])=O)cc2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0999 |
| logD: | 5.0782 |
| logSw: | -5.1214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.765 |
| InChI Key: | WLGSLZWZYZQPNO-UHFFFAOYSA-N |