Basic information
- CAS
25979-43-5- Standard SMILES
O=C(Nc1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1)Nc1ccc(C2=NCCCN2)cc1- InChIKey
WHBINYARPSPPGB-UHFFFAOYSA-N- Molecular formula
- C28H29N7O2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.23827319
Names & identifiers
- Preferred name
- Benzamide, N-[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]-4-[[[[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]amino]carbonyl]amino]-, dihydrochloride
- IUPAC
- N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide
Names & synonyms
NSC67736GNF-Pf-4858CHEMBL585421Benzamide, N-[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]-4-[[[[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]amino]carbonyl]amino]-, dihydrochlorideN-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamideN-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]-4-({[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoyl}amino)benzamide
Database identifiers
- CAS
25979-43-5- PubChem CID
- 415220
- DTXSID
DTXSID10180640- ChEMBL
CHEMBL585421
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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