(5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate

CAS: 79013-42-6

Molecular Formula	`C18H25N3O3`
Molecular Weight	331.4 g/mol
LogP	3.1
Topological Polar Surface Area	98.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	331.1896
Heavy Atoms	24
Complexity	545.0

Chemical Identifiers

CAS Number	79013-42-6
SMILES	`CC12CC3(CC(C1)(CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C)C`
InChIKey	`NGEIRZOWUFHJIN-UHFFFAOYSA-N`

📖 Product Overview

(5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate (CAS: 79013-42-6) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.4 g/mol. Its IUPAC systematic name is (5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate. LogP 3.1 Topological Polar Surface Area 98.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 331.1896 Heavy Atoms 24 Complexity 545.0 InChI Key: NGEIRZOWUFHJIN-UHFFFAOYSA-N. SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C)C.

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📚 Academic Support

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