2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0109 |
| Compound Name: | 2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C29 H32 N2 O S |
| Smiles: | C1CCC(CC1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6077 |
| logD: | 6.6077 |
| logSw: | -5.9907 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1367 |
| InChI Key: | QVIHYMCZOFAIKB-UHFFFAOYSA-N |