3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 6150-0006 |
| Compound Name: | 3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 499.68 |
| Molecular Formula: | C30 H33 N3 O2 S |
| Smiles: | C1CCN(CC1)C(CSC1=NC2=C(C(N1Cc1ccccc1)=O)C1(CCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5202 |
| logD: | 5.5201 |
| logSw: | -5.5788 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.308 |
| InChI Key: | NEPMFDCMCOOBCX-UHFFFAOYSA-N |