4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K284-3967 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 430.32 |
| Molecular Formula: | C19 H16 Br N3 O2 S |
| Smiles: | C=CCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6256 |
| logD: | 3.6038 |
| logSw: | -4.0319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.844 |
| InChI Key: | OXKNQAODQKUSMC-UHFFFAOYSA-N |