ethyl 3-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
ethyl 3-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0005 |
| Compound Name: | ethyl 3-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | CCOC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5562 |
| logD: | 3.5562 |
| logSw: | -3.7439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.288 |
| InChI Key: | YBBYKNVPRLLEJB-UHFFFAOYSA-N |