N-(4-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
N-(4-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D325-0703 |
| Compound Name: | N-(4-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C28 H31 N3 O2 S |
| Smiles: | CCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8681 |
| logD: | 5.8681 |
| logSw: | -5.3577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.314 |
| InChI Key: | CPBOQNMTJOBIJZ-UHFFFAOYSA-N |