3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-methylphenyl]benzamide

HCID 86655352

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1
InChIKey: WTRBKIHLCKEHKC-UHFFFAOYSA-N
Molecular formula: C29H24N4O3S
Average molar mass: 508.6 g/mol

Names & identifiers

Preferred name: 3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-methylphenyl]benzamide
IUPAC: 3-(1-cyanocyclopropyl)-N-[5-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-2-methylphenyl]benzamide

Names & synonyms

SCHEMBL2191884WTRBKIHLCKEHKC-UHFFFAOYSA-N3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-methylphenyl]benzamide

Database identifiers

PubChem CID: 86655352

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 927

Related reactions

2 records

New reaction record

HRID 203587As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2190371As productuspto-grants-2012_12

Compound notes

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