Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride

1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrochloride

CAS: 1907-84-2

Molecular Formula	`C28H40Cl2N4O3`
Molecular Weight	551.5 g/mol
Topological Polar Surface Area	64.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	550.24774
Heavy Atoms	37
Complexity	815.0

Chemical Identifiers

CAS Number	1907-84-2
SMILES	`CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)C2=CC=CC=C2.Cl.Cl`
InChIKey	`NVAZVWRBXPMQKT-UHFFFAOYSA-N`

📖 Product Overview

Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride (CAS: 1907-84-2) is a chemical compound with molecular formula C28H40Cl2N4O3 and molecular weight 551.5 g/mol. Its IUPAC systematic name is 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrochloride. Topological Polar Surface Area 64.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 550.24774 Heavy Atoms 37 Complexity 815.0 InChI Key: NVAZVWRBXPMQKT-UHFFFAOYSA-N. SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)C2=CC=CC=C2.Cl.Cl.

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