2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4164-0113 |
| Compound Name: | 2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C29 H32 N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(C2CCCC2)C(=N1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4606 |
| logD: | 6.4606 |
| logSw: | -5.9249 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1367 |
| InChI Key: | YBQGSVFKDCYXIW-UHFFFAOYSA-N |