ethyl [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
ethyl [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4222-0088 |
| Compound Name: | ethyl [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | CCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6051 |
| logD: | 4.605 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.976 |
| InChI Key: | QEVRCYQFOAKVSQ-UHFFFAOYSA-N |