Wal 1307
Basic information
- CAS
92588-10-8- Standard SMILES
Cc1ccc2c(c1)N1C(N)=NCC1c1ccccc1O2- InChIKey
MXWRQORVQVIJBI-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Overview
structure given in first source
Names & identifiers
- Preferred name
- Wal 1307
- IUPAC
- 17-methyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,7,9,11,15,17-heptaen-3-amine
Names & synonyms
Wal 1307Wal-130792588-10-8Dibenz(b,f)imidazo(1,5-d)(1,4)oxazepin-3-amine, 1,13b-dihydro-6-methyl-RefChem:194740DTXSID8091908517-Methyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,7,9,11,15,17-heptaen-3-amine6-Methyl-1,13b-dihydrodibenzo[b,f]imidazo[1,5-d][1,4]oxazepin-3(2H)-imine
Database identifiers
- CAS
92588-10-8- PubChem CID
- 146372
- DTXSID
DTXSID80919085- Nikkaji
- J23.666G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
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Related reactions
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Compound notes
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