Name: Name:1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
Brand: Angene
SKU: AG01DSTF
Rating: 90 (10 reviews)

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

CAS No.:

380461-32-5

Catalog Number:

AG01DSTF

Molecular Formula:

C22H20ClN3O3S

Molecular Weight:

441.9305

Catalog Number:

AG01DSTF

Chemical Name:

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

CAS Number:

380461-32-5

Molecular Formula:

C22H20ClN3O3S

Molecular Weight:

441.9305

MDL Number:

MFCD03153917

IUPAC Name:

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

InChI:

InChI=1S/C22H20ClN3O3S/c1-13-17-11-20(30-22(17)26(25-13)16-7-5-15(23)6-8-16)21(27)24-12-14-4-9-18(28-2)19(10-14)29-3/h4-11H,12H2,1-3H3,(H,24,27)

InChI Key:

CEOZREHYTXSZDM-UHFFFAOYSA-N

SMILES:

COc1cc(CNC(=O)c2cc3c(s2)n(nc3C)c2ccc(cc2)Cl)ccc1OC

Complexity:

592

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.93g/mol

Monoisotopic Mass:

441.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3