Basic information
- Standard SMILES
N#CCC1CCC(c2nc3c(n2O)-c2ccncc2Nc2ncccc2-3)CC1- InChIKey
CBNJMDQAHBDHIO-UHFFFAOYSA-N- Molecular formula
- C21H20N6O
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- [4-(3-Hydroxy-3,8-dihydroimidazo[4,5-d]dipyrido[2,3-b:4',3'-f]azepin-2-yl)cyclohexyl]acetonitrile
- IUPAC
- 2-[4-(5-hydroxy-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaen-4-yl)cyclohexyl]acetonitrile
Names & synonyms
SCHEMBL1040844CBNJMDQAHBDHIO-UHFFFAOYSA-N[4-(3-hydroxy-3,8-dihydroimidazo[4,5-d]dipyrido[2,3-b:4',3'-f]azepin-2-yl)cyclohexyl]acetonitrile
Database identifiers
- PubChem CID
- 16070583
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
1 records
Compound notes
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