2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0091 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCCNC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8969 |
| logD: | 2.8969 |
| logSw: | -3.5715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.039 |
| InChI Key: | IGGCNBWOWKYMAZ-UHFFFAOYSA-N |