7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-pentylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016369 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-pentylquinazolin-4(3H)-one |
| Molecular Weight: | 505.68 |
| Molecular Formula: | C29 H35 N3 O3 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6211 |
| logD: | 5.6211 |
| logSw: | -5.1999 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.85 |
| InChI Key: | KUZNQSZJKBDAAP-UHFFFAOYSA-N |