4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-(2-phenylethenyl)-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-
Basic information
- CAS
151921-16-3- Standard SMILES
Cc1c(NCC(=O)N2C(=O)CC(=O)N(N3C(=O)C(Cl)C3/C=C/c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C- InChIKey
MYFYUCXXFLQDLV-BUHFOSPRSA-N- Molecular formula
- C28H25ClN6O5S
- Average molar mass
- 593.1 g/mol
- Monoisotopic mass
- 592.1295668
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-(2-phenylethenyl)-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-
- IUPAC
- 1-[3-chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
151921-16-34,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-(2-phenylethenyl)-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-RefChem:1069444
Database identifiers
- CAS
151921-16-3- PubChem CID
- 6448823
- Nikkaji
- J562.962D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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