2-(benzylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0158 |
| Compound Name: | 2-(benzylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 500.7 |
| Molecular Formula: | C31 H36 N2 O2 S |
| Smiles: | CC1(C)CC(CCO1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2926 |
| logD: | 6.2926 |
| logSw: | -5.3505 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.97 |
| InChI Key: | ADGWWXNZQJZZDN-DEOSSOPVSA-N |