(1S,4E,7S,9R)-4-(1H-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0(2),?.0(1)?,(1)?]hexadeca-10,12,14-triene-3,6-dione
(1S,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: (1S,4E,7S,9R)-4-(1H-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0(2),?.0(1)?,(1)?]hexadeca-10,12,14-triene-3,6-dione|(3E,5aS,10bR,11aS)-10b-(1,1-Dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-2H-pyrazino[1 inverted exclamation marka,2 inverted exclamation marka:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.18518 g/mol |
| LogP | 2.38 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 1054.9 |
Chemical Identifiers
| CAS Number | 58735-64-1 |
|---|---|
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)NC(=CC4=CN=CN4)C(=O)N3[C@@H]1NC5=CC=CC=C25 |
Product Overview
(1S,4E,7S,9R)-4-(1H-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0(2),?.0(1)?,(1)?]hexadeca-10,12,14-triene-3,6-dione (CAS 58735-64-1), with molecular formula C22H23N5O2 and molecular weight 389.18518 g/mol. IUPAC: (1S,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
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