ethyl [(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate
ethyl [(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D325-0689 |
| Compound Name: | ethyl [(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | CCCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.1301 |
| logD: | 5.1301 |
| logSw: | -4.8489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.595 |
| InChI Key: | XANUHFTVEGYBMW-UHFFFAOYSA-N |