(+/-)-1-(3,5-Dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4-phenyl-4-propyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea

HCID 25255370

Notes Reactions

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Basic information

Standard SMILES: CCCC1(c2ccccc2)N=C(C)N(CC(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2)C1=O
InChIKey: DUBYVKIDEYMUGP-UHFFFAOYSA-N
Molecular formula: C27H29N5O4
Average molar mass: 487.5 g/mol

Names & identifiers

Preferred name: (+/-)-1-(3,5-Dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4-phenyl-4-propyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea
IUPAC: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[2-(2-methyl-5-oxo-4-phenyl-4-propylimidazol-1-yl)acetyl]phenyl]urea

Names & synonyms

SCHEMBL2976431DUBYVKIDEYMUGP-UHFFFAOYSA-N(+/-)-1-(3,5-dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4-phenyl-4-propyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea

Database identifiers

PubChem CID: 25255370

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 117 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 849

Related reactions

2 records

New reaction record

HRID 507403As productuspto-grants-2010_08

HRID 1125568As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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