2-[(cyanomethyl)sulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015848 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5401 |
| logD: | 3.5376 |
| logSw: | -3.801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.865 |
| InChI Key: | BRICVGOHZWWNTB-UHFFFAOYSA-N |