Basic information
- CAS
4715-10-0- Standard SMILES
CCC(=O)N=c1cc2oc3c(Cl)c4c(c(Cl)c3nc-2cc1OC)Oc1cc(NC(=O)CC)c(OC)cc1N4- InChIKey
WJHMOPZYNCIWPB-UHFFFAOYSA-N- Molecular formula
- C26H22Cl2N4O6
- Average molar mass
- 557.4 g/mol
- Monoisotopic mass
- 556.0916398
Names & identifiers
- Preferred name
- N,N'-(6,13-Dichloro-2,9-dimethoxytriphenodioxazine-3,10-diyl)bispropionamide
- IUPAC
- N-(6,13-dichloro-2,9-dimethoxy-3-propanoylimino-7H-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl)propanamide
Names & synonyms
N,N'-(6,13-Dichloro-2,9-dimethoxytriphenodioxazine-3,10-diyl)bispropionamide4715-10-0EINECS 225-205-495LH6X8XQEDTXSID70197052WJHMOPZYNCIWPB-UHFFFAOYSA-NNS00044272N,N'-(6,13-Dichloro-2,9-dimethoxy-3,10-triphenodioxazinediyl)bis[propanamide]Propanamide, N,N'-(6,13-dichloro-2,9-dimethoxy-3,10-triphenodioxazinediyl)bis-N,N'-(6,13-Dichloro-2,9-dimethoxy[1,4]benzoxazino[2,3-b]phenoxazine-3,10-diyl)dipropanamide
Database identifiers
- CAS
4715-10-0- PubChem CID
- 78445
- DTXSID
DTXSID70197052- UNII
- 95LH6X8XQE
- EC Number
- 225-205-4
- Nikkaji
- J297.905E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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