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Basic information
- Standard SMILES
CN1CCC(N2C(=O)c3cc4[nH]c(-c5c(Cl)cc[nH]c5=O)nc4c(Cl)c3C2=O)CC1- InChIKey
JXVAYKMGPCWIAG-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N5O3
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.0708448
Names & identifiers
- Preferred name
- 4-chloro-2-(4-chloro-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione
- IUPAC
- 8-chloro-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
Names & synonyms
SCHEMBL768094JXVAYKMGPCWIAG-UHFFFAOYSA-N4-chloro-2-(4-chloro-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione
Database identifiers
- PubChem CID
- 136200438
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 853
Related reactions
4 records
Compound notes
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