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Basic information
- Standard SMILES
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N- InChIKey
QPNHPZIAZYHYSS-UHFFFAOYSA-N- Molecular formula
- C16H18N4O4
- Average molar mass
- 330.34 g/mol
- Monoisotopic mass
- 330.13280507
Names & identifiers
- Preferred name
- (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate
- IUPAC
- (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate
Names & synonyms
NSC652729CHEMBL17438NSC-652729(6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl propionateNCI60_018441
Database identifiers
- PubChem CID
- 374653
- ChEMBL
CHEMBL17438
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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