4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K284-7363 |
| Compound Name: | 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCC=C)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6574 |
| logD: | 2.6504 |
| logSw: | -3.2278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.265 |
| InChI Key: | BKZCBTWGERDYSU-UHFFFAOYSA-N |