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TD-198946 10mg

CAT: 0628-A12718-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12718-10Size:10 mg
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CAS Number
364762-86-7

Chemical Information

1-Methyl-8-(4-(quinolin-2-ylmethoxy)phenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxamide
CAS Number364762-86-7
PubChem CID9826550
IUPAC Name1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
Molecular FormulaC27H22N4O3S
Molecular Weight482.6
XLogP4.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
CN1C2=C(CCC3=C(SC(=C32)OC4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)N)C=N1
InChI
InChI=1S/C27H22N4O3S/c1-31-24-17(14-29-31)7-13-21-23(24)27(35-25(21)26(28)32)34-20-11-9-19(10-12-20)33-15-18-8-6-16-4-2-3-5-22(16)30-18/h2-6,8-12,14H,7,13,15H2,1H3,(H2,28,32)
InChIKey
QGAMAWMLTUNPAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-8-(4-(quinolin-2-ylmethoxy)phenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazole-6-carboxamide
CAS: 364762-86-7
CID: 9826550
Formula: C27H22N4O3S
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass482.14126175
Monoisotopic Mass482.14126175
Topological Polar Surface Area121 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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