N-benzyl-2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
N-benzyl-2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D325-0579 |
| Compound Name: | N-benzyl-2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C29 H33 N3 O2 S |
| Smiles: | CCCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6003 |
| logD: | 5.6002 |
| logSw: | -5.2779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.637 |
| InChI Key: | HLLFQIHKKCBDTK-UHFFFAOYSA-N |