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IC2418

CAT: 0931-T70671-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70671-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432641-65-0
Target
Others
Related Pathways
Others
Bioactivity
IC2418 is an MmpL3 inhibitor, being active against drug-resistant Mycobacterium tuberculosis.
Smiles
CC1=C2C(NC(C(NC3CCCCCC3)=O)=C2)=CC(C)=C1
Molecular Formula
C18H24N2O
Molecular Weight
284.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
CAS Number1432641-65-0
PubChem CID71662593
IUPAC NameN-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
Molecular FormulaC18H24N2O
Molecular Weight284.4
XLogP4.7
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity362
SMILES
CC1=CC(=C2C=C(NC2=C1)C(=O)NC3CCCCCC3)C
InChI
InChI=1S/C18H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)18(21)19-14-7-5-3-4-6-8-14/h9-11,14,20H,3-8H2,1-2H3,(H,19,21)
InChIKey
ANRDRZQBFPDAJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
CAS: 1432641-65-0
CID: 71662593
Formula: C18H24N2O
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass284.188863393
Monoisotopic Mass284.188863393
Topological Polar Surface Area44.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity362
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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