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N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide

HCID 5225033
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Basic information

CAS
6227-09-4
Standard SMILES
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1C
InChIKey
ONIKDYUGLVCNAM-UHFFFAOYSA-N
Molecular formula
C26H23N3OS
Average molar mass
425.5 g/mol
Monoisotopic mass
425.15618354

Names & identifiers

Preferred name
N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
IUPAC
N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide

Names & synonyms

6227-09-4N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamideOprea1_606262DTXSID70411366F0541-1541N-(2-(2,3-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-[1,1'-biphenyl]-4-carboxamideN-[2-(2,3-Dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl][1,1'-biphenyl]-4-carboxamide

Database identifiers

CAS
6227-09-4
PubChem CID
5225033
DTXSID
DTXSID70411366
EC Number
612-992-8

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
72.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
616

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