2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2-(4-phenylpiperazin-1-yl)ethyl]phenoxazine-1,9-dicarboxamide
Basic information
- CAS
63879-41-4- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)c3nc-2c(C(=O)NCCN2CCN(c3ccccc3)CC2)c(N)c1=O- InChIKey
KECMICZSONPIAB-UHFFFAOYSA-N- Molecular formula
- C40H46N8O4
- Average molar mass
- 702.8 g/mol
- Monoisotopic mass
- 702.36420198
Names & identifiers
- Preferred name
- 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2-(4-phenylpiperazin-1-yl)ethyl]phenoxazine-1,9-dicarboxamide
- IUPAC
- 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2-(4-phenylpiperazin-1-yl)ethyl]phenoxazine-1,9-dicarboxamide
Names & synonyms
NSC17294063879-41-4DTXSID30980664NSC-1729402-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2-(4-phenylpiperazin-1-yl)ethyl]phenoxazine-1,9-dicarboxamide2-Amino-4,6-dimethyl-3-oxo-N,N'-bis[2-(4-phenylpiperazin-1-yl)ethyl]-3H-phenoxazine-1,9-dicarboxamide2-Amino-4,6-dimethyl-3-oxo-N~1~,N~9~-bis[2-(4-phenylpiperazin-1-yl)ethyl]-3H-phenoxazine-1,9-dicarboximidic acid2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[2-(4-phenylpiperazin-1-yl)ethyl]phenoxazine-1,9-dicarboxamide
Database identifiers
- CAS
63879-41-4- PubChem CID
- 299659
- DTXSID
DTXSID30980664
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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