5',11'a-dimethyl-4',6',7',11'a-tetrahydro-9'H-spiro[cyclohexane-1,11'-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol]-9'-one
Chemical Structure Depiction of
5',11'a-dimethyl-4',6',7',11'a-tetrahydro-9'H-spiro[cyclohexane-1,11'-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol]-9'-one
5',11'a-dimethyl-4',6',7',11'a-tetrahydro-9'H-spiro[cyclohexane-1,11'-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol]-9'-one
Compound characteristics
| Compound ID: | 8014-1040 |
| Compound Name: | 5',11'a-dimethyl-4',6',7',11'a-tetrahydro-9'H-spiro[cyclohexane-1,11'-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol]-9'-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | Cc1c2CCN3C(=O)OC4(CCCCC4)C3(C)c3cccc(c23)[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5802 |
| logD: | 4.5802 |
| logSw: | -4.4618 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.301 |
| InChI Key: | ISTKNNZQEVPAML-LJQANCHMSA-N |