ST055680

HCID 3967015

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Basic information

CAS: 485317-07-5
Standard SMILES: CCCN(C(=O)c1ccc(-n2cnnn2)cc1)C(C(=O)Nc1c(C)cccc1C)c1ccccc1
InChIKey: JYMLGBJSZKHCAU-UHFFFAOYSA-N
Molecular formula: C27H28N6O2
Average molar mass: 468.5 g/mol
Monoisotopic mass: 468.22737416

Names & identifiers

Preferred name: ST055680
IUPAC: N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-propyl-4-(tetrazol-1-yl)benzamide
English name: Benzeneacetamide, N-(2,6-dimethylphenyl)-alpha-[propyl[4-(1H-tetrazol-1-yl)benzoyl]amino]- (9CI)
Molecular formula: C27H28N6O2
Molecular weight: 468.55

Names & synonyms

485317-07-5ST055680DTXSID10398283RefChem:381417DTXCID40349142BENZENEACETAMIDE, N-(2,6-DIMETHYLPHENYL)-ALPHA-[PROPYL[4-(1H-TETRAZOL-1-YL)BENZOYL]AMINO]-N-{2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}-N-propyl-4-(1H-tetrazol-1-yl)benzamideOprea1_001459N-[2-(2,6-Dimethylanilino)-2-oxo-1-phenylethyl]-N-propyl-4-(1H-tetrazol-1-yl)benzamideSTK766017AKOS001750166N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-propyl-4-(tetrazol-1-yl)benzamide

Show more names

Benzeneacetamide, N-(2,6-dimethylphenyl)-α-[propyl[4-(1H-tetrazol-1-yl)benzoyl]amino]-Benzeneacetamide, N-(2,6-dimethylphenyl)-alpha-[propyl[4-(1H-tetrazol-1-yl)benzoyl]amino]- (9CI)

SR-01000535264SR-01000535264-1N-(2,6-dimethylphenyl)-2-phenyl-2-[N-propyl(4-(1,2,3,4-tetraazolyl)phenyl)carb onylamino]acetamide

Database identifiers

CAS: 485317-07-5
PubChem CID: 3967015
DTXSID: DTXSID10398283

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 93 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 681

Chemistry & industry

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