Mls003171272

HCID 340548

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Basic information

CAS: 87447-30-1
Standard SMILES: CCN(CC)CCNC(=O)c1ccc(NCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIKey: CDHHTLYATJBPNO-UHFFFAOYSA-N
Molecular formula: C29H33N5O3
Average molar mass: 499.6 g/mol
Monoisotopic mass: 499.25833993

Names & identifiers

Preferred name: Mls003171272
IUPAC: N-[2-(diethylamino)ethyl]-4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methylamino]benzamide

Names & synonyms

MLS00317127287447-30-1DTXSID50321171RefChem:357352DTXCID70272292N-(2-(Diethylamino)ethyl)-4-(((2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl)amino)benzamideN-[2-(Diethylamino)ethyl]-4-{[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]amino}benzamideNSC371178CHEMBL4296843NSC-371178SMR001875176

Database identifiers

CAS: 87447-30-1
PubChem CID: 340548
DTXSID: DTXSID50321171
ChEMBL: CHEMBL4296843

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 93.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 37
Formal charge: 0
Complexity: 748

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