Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)CC3OCCO3)ccc3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
CKXIWNUNWFAWTD-UHFFFAOYSA-N- Molecular formula
- C29H27N3O6
- Average molar mass
- 513.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methylbenzamido)-2-[2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]acetylamino]-anthraquinone
- IUPAC
- N-[2-[[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL2270601CHEMBL1927892CKXIWNUNWFAWTD-UHFFFAOYSA-N1-(4-methylbenzamido)-2-[2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]acetylamino]-anthraquinone
Database identifiers
- PubChem CID
- 53374586
- ChEMBL
CHEMBL1927892
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
2 records
Compound notes
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