1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide

2.1.2 InChI

InChI=1S/C22H23N3OS/c1-13-7-14(2)9-18(8-13)25-21(19-11-27-12-20(19)24-25)23-22(26)17-6-5-15(3)16(4)10-17/h5-10H,11-12H2,1-4H3,(H,23,26)

2.1.3 InChI Key

CODSPCPTNODBCT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 396721-90-7

2. N-[2-(3,5-dimethylphenyl)-2h,4h,6h-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide

3. Oprea1_101660

4. Th103

5. Akos024599709

6. N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide

7. F0778-0203

2.3 Create Date

2005-09-13

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₃N₃OS
Molecular Weight	377.5 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	72.2
Heavy Atom Count	27
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

TH103