2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3089-0870 |
| Compound Name: | 2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 484.7 |
| Molecular Formula: | C31 H36 N2 O S |
| Smiles: | C1CCC(CC1)CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.7648 |
| logD: | 7.7648 |
| logSw: | -6.104 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.7413 |
| InChI Key: | LLKGNNQKVBUXDH-UHFFFAOYSA-N |