4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K284-2772 |
| Compound Name: | 4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.029 |
| logD: | 2.0278 |
| logSw: | -2.987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.424 |
| InChI Key: | ZHUWYXRSOFOAKE-UHFFFAOYSA-N |