ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 5731-0052 |
| Compound Name: | ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CCOC(CSC1=NC2=C(C(N1Cc1ccccc1)=O)C1(CCCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9072 |
| logD: | 5.9072 |
| logSw: | -5.2611 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.979 |
| InChI Key: | FCJSVIDDHBXSTR-UHFFFAOYSA-N |