ST50646632

HCID 869005

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Basic information

CAS: 55695-67-5
Standard SMILES: COc1cc(C(=O)Nc2ccccc2C(N)=O)cc(OC)c1OC
InChIKey: HAEFKDWYZJEAEJ-UHFFFAOYSA-N
Molecular formula: C17H18N2O5
Average molar mass: 330.33 g/mol
Monoisotopic mass: 330.12157168

Names & identifiers

Preferred name: ST50646632
IUPAC: N-(2-carbamoylphenyl)-3,4,5-trimethoxybenzamide

Names & synonyms

55695-67-5ST50646632DTXSID40357823RefChem:381638DTXCID90308880N-(2-carbamoylphenyl)-3,4,5-trimethoxybenzamideCBMicro_028716Oprea1_831843CHEMBL153209SCHEMBL8638460STK413097AKOS003000678

Show more names

BIM-0028763.P001SR-010002177432-[(3,4,5-trimethoxyphenyl)carbonylamino]benzamideSR-01000217743-1Z57407839

Database identifiers

CAS: 55695-67-5
PubChem CID: 869005
DTXSID: DTXSID40357823
ChEMBL: CHEMBL153209
Nikkaji: J1.508.569J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 99.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 431

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