Basic information
- CAS
146656-78-2- Standard SMILES
CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc21- InChIKey
WCIBELXOPRCLEG-UHFFFAOYSA-N- Molecular formula
- C17H17N5O
- Average molar mass
- 307.35 g/mol
- Monoisotopic mass
- 307.14331018
Names & identifiers
- Preferred name
- 8-Ethyl-6-methoxy-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
- IUPAC
- 13-ethyl-16-methoxy-3-methyl-2,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene
Names & synonyms
UK-129485CHEMBL429068-Ethyl-6-methoxy-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azuleneDIAZEP4CD875DWH3BDBM50050632UK-129,485Q274668959-Ethyl-7-methoxy-3-methyl-9H-imidazo[1,2-d]dipyrido[2,3-b:3',2'-f][1,4]diazepine9H-Imidazo[1,2-d]dipyrido[2,3-b:3',2'-f][1,4]diazepine, 9-ethyl-7-methoxy-3-methyl-13-Ethyl-16-methoxy-3-methyl-2,5,11,13,15-pentaazatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(14),3,5,7(12),8,10,15,17-octaene146656-78-2
Database identifiers
- CAS
146656-78-2- PubChem CID
- 476263
- ChEMBL
CHEMBL42906- UNII
- 4CD875DWH3
- Nikkaji
- J717.437C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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