Basic information
- CAS
63879-47-0- Standard SMILES
COc1ccc(CCNC(=O)c2c3nc4c(C(=O)NCCc5ccc(OC)c(OC)c5)ccc(C)c4oc-3c(C)c(=O)c2N)cc1OC- InChIKey
PFLXZMPCPBMQSD-UHFFFAOYSA-N- Molecular formula
- C36H38N4O8
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.26896418
Names & identifiers
- Preferred name
- 2-amino-1-N,9-N-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
- IUPAC
- 2-amino-1-N,9-N-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Names & synonyms
63879-47-0NSC2699972-amino-1-N,9-N-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamideDTXSID00313405NSC-2699972-Amino-N~1~,N~9~-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
Database identifiers
- CAS
63879-47-0- PubChem CID
- 320866
- DTXSID
DTXSID00313405
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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