7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016389 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentylquinazolin-4(3H)-one |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.515 |
| logD: | 5.515 |
| logSw: | -5.2564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.578 |
| InChI Key: | OKBYINYJYJEURS-UHFFFAOYSA-N |