Basic information
- CAS
131528-76-2- Standard SMILES
COc1ccccc1N1C(=O)C(CNc2ccccc2C)C(=O)N(NC(=O)c2ccc(N=Cc3ccccc3Cl)cc2)C1=S- InChIKey
VFCSSEUVHFSQIS-UHFFFAOYSA-N- Molecular formula
- C33H28ClN5O4S
- Average molar mass
- 626.1 g/mol
- Monoisotopic mass
- 625.1550533
Names & identifiers
- Preferred name
- Benzamide, 4-(((2-chlorophenyl)methylene)amino)-N-(tetrahydro-3-(2-methoxyphenyl)-5-(((2-methylphenyl)amino)methyl)-4,6-dioxo-2-thioxo-1(2H)-pyrimidinyl)-
- IUPAC
- 4-[(2-chlorophenyl)methylideneamino]-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
Names & synonyms
131528-76-2Benzamide, 4-(((2-chlorophenyl)methylene)amino)-N-(tetrahydro-3-(2-methoxyphenyl)-5-(((2-methylphenyl)amino)methyl)-4,6-dioxo-2-thioxo-1(2H)-pyrimidinyl)-
Database identifiers
- CAS
131528-76-2- PubChem CID
- 3076512
- Nikkaji
- J407.675C
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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