3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[5.5]undeca-1,7,10-trien-9-one
Chemical Structure Depiction of
3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[5.5]undeca-1,7,10-trien-9-one
3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[5.5]undeca-1,7,10-trien-9-one
Compound characteristics
| Compound ID: | 8016-0399 |
| Compound Name: | 3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[5.5]undeca-1,7,10-trien-9-one |
| Molecular Weight: | 235.35 |
| Molecular Formula: | C13 H17 N O S |
| Smiles: | CC1(C)CCC2(C=CC(C=C2)=O)C(=N1)SC |
| Stereo: | ACHIRAL |
| logP: | 1.6017 |
| logD: | -0.0918 |
| logSw: | -1.7475 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 22.0716 |
| InChI Key: | CJNBKVRINJHXSG-UHFFFAOYSA-N |