3-butyl-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-butyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-butyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0561 |
| Compound Name: | 3-butyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 465.66 |
| Molecular Formula: | C27 H35 N3 O2 S |
| Smiles: | CCCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1818 |
| logD: | 5.1816 |
| logSw: | -4.9088 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.557 |
| InChI Key: | ZNTVAJDJVQXEQA-UHFFFAOYSA-N |