Basic information
- CAS
96304-70-0- Standard SMILES
CC(C)=CCC/C(C)=C/Cn1cc2c3c(cccc31)N(C)C(C(C)C)C(=O)NC(CO)C2- InChIKey
IXKHTVQXDUFBPS-DEDYPNTBSA-N- Molecular formula
- C27H39N3O2
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.3042275
Names & identifiers
- Preferred name
- N-Geranyl-racemic-indolactam Vs
- IUPAC
- 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Names & synonyms
N-Geranyl-racemic-indolactam VsN-Geranyl-(+-)-indolactam Vs96304-70-03H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 8-(3,7-dimethyl-2,6-octadienyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2R*,5R*,8(E))-(+-)-
Database identifiers
- CAS
96304-70-0- PubChem CID
- 6442998
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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