Compound C22H31N3O5

7-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid

CAS: 104013-57-2

Molecular Formula	`C22H31N3O5`
Molecular Weight	417.5 g/mol
LogP	0.6
Topological Polar Surface Area	99.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	417.22638
Heavy Atoms	30
Complexity	608.0

Chemical Identifiers

CAS Number	104013-57-2
SMILES	`CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O`
InChIKey	`HHHKFGXWKKUNCY-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H31N3O5 (CAS: 104013-57-2) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.5 g/mol. Its IUPAC systematic name is 7-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid. LogP 0.6 Topological Polar Surface Area 99.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 417.22638 Heavy Atoms 30 Complexity 608.0 InChI Key: HHHKFGXWKKUNCY-UHFFFAOYSA-N. SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.

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