2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D325-0694 |
| Compound Name: | 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C29 H33 N3 O2 S |
| Smiles: | CCCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3423 |
| logD: | 6.3423 |
| logSw: | -5.3718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.314 |
| InChI Key: | GZXPIXKXUBOCFP-UHFFFAOYSA-N |