4,6(1H,5H)-Pyrimidinedione, dihydro-5-(((2-chloro-4-nitrophenyl)amino)methyl)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-
Basic information
- CAS
139356-79-9- Standard SMILES
Cc1ccccc1N1C(=O)C(CNc2ccc([N+](=O)[O-])cc2Cl)C(=O)N(c2nc(-c3ccccc3)cs2)C1=S- InChIKey
STRGSXLLOBHMNA-UHFFFAOYSA-N- Molecular formula
- C27H20ClN5O4S2
- Average molar mass
- 578.1 g/mol
- Monoisotopic mass
- 577.0645242
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(((2-chloro-4-nitrophenyl)amino)methyl)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-
- IUPAC
- 5-[(2-chloro-4-nitroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
BRN 5369819139356-79-94,6(1H,5H)-Pyrimidinedione, dihydro-5-(((2-chloro-4-nitrophenyl)amino)methyl)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-RefChem:285651DTXSID409304535-[(2-chloro-4-nitroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
139356-79-9- PubChem CID
- 3071950
- DTXSID
DTXSID40930453
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 948
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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