2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-pentylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-pentylquinazolin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-pentylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016429 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-pentylquinazolin-4(3H)-one |
| Molecular Weight: | 532.1 |
| Molecular Formula: | C30 H30 Cl N3 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7503 |
| logD: | 6.7503 |
| logSw: | -6.0661 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.331 |
| InChI Key: | MZYWURTZVAAIMC-UHFFFAOYSA-N |