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NITD-304

CAT: 0931-T33683-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33683-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1473450-60-0
Target
Others
Related Pathways
Others
Bioactivity
NITD-304 is an anti-tuberculosis drug candidate for the treatment of multidrug-resistant tuberculosis (MDR-TB), showing effective activity against both MTB drug-sensitive and multidrug-resistant clinical isolates.
Smiles
ClC1=C2C(NC(C(NC3CCC(C)(C)CC3)=O)=C2)=CC(Cl)=C1
Molecular Formula
C17H20Cl2N2O
Molecular Weight
339.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide

structure in first source

CAS Number1473450-60-0
PubChem CID72694224
IUPAC Name4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.3
XLogP5.4
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity419
SMILES
CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3Cl)Cl)C
InChI
InChI=1S/C17H20Cl2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
InChIKey
NKNGAORFGPSYJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CAS: 1473450-60-0
CID: 72694224
Formula: C17H20Cl2N2O
MW: 339.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.3
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass338.0952687
Monoisotopic Mass338.0952687
Topological Polar Surface Area44.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity419
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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