Benzyl hydrogen (3-formyl-1H-indol-5-yl)carbonimidate

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Basic information

CAS: 6964-51-8
Standard SMILES: O=Cc1c[nH]c2ccc(NC(=O)OCc3ccccc3)cc12
InChIKey: UPQCXWFVCCWWPP-UHFFFAOYSA-N
Molecular formula: C17H14N2O3
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.10044231

Names & identifiers

Preferred name: Benzyl hydrogen (3-formyl-1H-indol-5-yl)carbonimidate
IUPAC: benzyl N-(3-formyl-1H-indol-5-yl)carbamate

Names & synonyms

MLS0026935826964-51-8NSC66606NCIOpen2_003106Benzyl hydrogen (3-formyl-1H-indol-5-yl)carbonimidateCHEMBL1727081DTXSID10989751HMS3085B22NSC-66606SMR001559529

Database identifiers

CAS: 6964-51-8
PubChem CID: 248940
DTXSID: DTXSID10989751
ChEMBL: CHEMBL1727081

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 71.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 395

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Compound notes

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