4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-
Basic information
- CAS
151921-14-1- Standard SMILES
Cc1c(NCC(=O)N2C(=O)CC(=O)N(N3C(=O)C(Cl)C3c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C- InChIKey
XDBGMCYNXUNRAG-UHFFFAOYSA-N- Molecular formula
- C26H23ClN6O5S
- Average molar mass
- 567 g/mol
- Monoisotopic mass
- 566.1139167
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-phenyl-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-phenylazetidin-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
151921-14-14,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-RefChem:285648DTXSID009343761-(3-Chloro-2-oxo-4-phenylazetidin-1-yl)-3-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]acetyl}-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
151921-14-1- PubChem CID
- 3073735
- DTXSID
DTXSID00934376- Nikkaji
- J562.960H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
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