Basic information
- CAS
164230-00-6- Standard SMILES
COC(=O)CC1c2ccccc2N2C(=O)Cc3c([nH]c4ccccc34)C12- InChIKey
FOPDNKXARDERIV-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13174244
Names & identifiers
- Preferred name
- (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a
- IUPAC
- methyl 2-(12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaen-20-yl)acetate
Names & synonyms
NSC688534(6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-aCHEMBL2005131DTXSID501138334NSC-688534164230-00-6NCI60_031966Methyl (6-oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a:3,4-b']diindol-13-yl)acetateMethyl 7,12,12b,13-tetrahydro-6-oxo-6H-pyrido[1,2-a:3,4-ba(2)]diindole-13-acetate
Database identifiers
- CAS
164230-00-6- PubChem CID
- 390771
- DTXSID
DTXSID501138334- ChEMBL
CHEMBL2005131
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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