Basic information
- CAS
93415-46-4- Standard SMILES
CC(=O)N1N=C(c2ccccc2N2C(=O)C(Cl)C2c2c[nH]c3ccccc23)CC1c1cccc(Cl)c1- InChIKey
QUPQYFRXCUBOKD-UHFFFAOYSA-N- Molecular formula
- C28H22Cl2N4O2
- Average molar mass
- 517.4 g/mol
- Monoisotopic mass
- 516.1119813
Names & identifiers
- Preferred name
- 1H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(3-chlorophenyl)-
- IUPAC
- 1-[2-[2-acetyl-3-(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-3-chloro-4-(1H-indol-3-yl)azetidin-2-one
Names & synonyms
BRN 46174341H-Pyrazole, 4,5-dihydro-1-acetyl-3-(2-(3-chloro-2-(1H-indol-3-yl)-4-oxo-1-azetidinyl)phenyl)-5-(3-chlorophenyl)-93415-46-4RefChem:239797DTXSID709184461-{2-[1-Acetyl-5-(3-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}-3-chloro-4-(1H-indol-3-yl)azetidin-2-one
Database identifiers
- CAS
93415-46-4- PubChem CID
- 13428697
- DTXSID
DTXSID70918446
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 899
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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