(3E)-4-{3-[4-(dimethylamino)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}pent-3-en-2-one
Chemical Structure Depiction of
(3E)-4-{3-[4-(dimethylamino)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}pent-3-en-2-one
(3E)-4-{3-[4-(dimethylamino)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}pent-3-en-2-one
Compound characteristics
| Compound ID: | 6395-0120 |
| Compound Name: | (3E)-4-{3-[4-(dimethylamino)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}pent-3-en-2-one |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | C/C(=C\C(C)=O)N1C(C2CCc3ccc(cc3C2=N1)OC)c1ccc(cc1)N(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2782 |
| logD: | 5.2744 |
| logSw: | -5.335 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.565 |
| InChI Key: | FQRJFFKKNUDUAS-UHFFFAOYSA-N |