Basic information
- CAS
63178-31-4- Standard SMILES
CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
VZCFVDFGLKRPNA-UHFFFAOYSA-N- Molecular formula
- C21H18N4O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14806121
Names & identifiers
- Preferred name
- Urea, 1-(p-(9-acridinylamino)phenyl)-3-methyl-
- IUPAC
- 1-[4-(acridin-9-ylamino)phenyl]-3-methylurea
Names & synonyms
BRN 0495977Urea, 1-(p-(9-acridinylamino)phenyl)-3-methyl-1-(p-(9-Acridinylamino)phenyl)-3-methylurea63178-31-4DTXSID802125235-22-11-00024 (Beilstein Handbook Reference)RefChem:387539DTXCID10135014CHEMBL278841N-{4-[(Acridin-9-yl)amino]phenyl}-N'-methylurea
Database identifiers
- CAS
63178-31-4- PubChem CID
- 148993
- DTXSID
DTXSID80212523- ChEMBL
CHEMBL278841- Nikkaji
- J96.673H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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