Ita 435

HCID 54818

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Basic information

CAS: 82058-32-0
Standard SMILES: CC12C(=O)C(C(c3ccccc3)NC1c1ccccc1)C(c1ccccc1)N(C(=O)NC1CCCCC1)C2c1ccccc1
InChIKey: QARQMLRJUWCFKC-UHFFFAOYSA-N
Molecular formula: C39H41N3O2
Average molar mass: 583.8 g/mol
Monoisotopic mass: 583.31987756

Names & identifiers

Preferred name: Ita 435
IUPAC: N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
English name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-5-methyl-9-o xo-2,4,6,8
Molecular formula: C39H41N3O2
Molecular weight: 583.76

Names & synonyms

ITA 43582058-32-0BRN 5688894N-Cyclohexyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:3503083,7-DIAZABICYCLO(3.3.1)NONANE-3-CARBOXAMIDE, N-CYCLOHEXYL-5-METHYL-9-O XO-2,4,6,8DTXSID001002439N-Cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid3,7-Diazabicyclo[3.3.1]nonane-3-carboxamide, N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-

Database identifiers

CAS: 82058-32-0
PubChem CID: 54818
DTXSID: DTXSID001002439
Nikkaji: J68.376K

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 44
Formal charge: 0
Complexity: 970

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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Compound notes

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