Basic information
- Standard SMILES
OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1- InChIKey
ZOXSPDARSPXASJ-UHFFFAOYSA-N- Molecular formula
- C20H15N5O
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.12766012
Names & identifiers
- Preferred name
- (4-(9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)phenyl)methanol
- IUPAC
- [4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methanol
Names & synonyms
SCHEMBL2505927CHEMBL3684334ZOXSPDARSPXASJ-UHFFFAOYSA-NBDBM103046US8541407, 23(4-(9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)phenyl)methanol
Database identifiers
- PubChem CID
- 136163785
- ChEMBL
CHEMBL3684334
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
5 records
Compound notes
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