Basic information
- CAS
1907-84-2- Standard SMILES
CCN(CC)CC#CCN1C(=O)N(CC#CCN(CC)CC)C(=O)C(CC)(c2ccccc2)C1=O.Cl.Cl- InChIKey
NVAZVWRBXPMQKT-UHFFFAOYSA-N- Molecular formula
- C28H40Cl2N4O3
- Average molar mass
- 551.5 g/mol
- Monoisotopic mass
- 550.2477465
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride
- IUPAC
- 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrochloride
Names & synonyms
Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride1907-84-2DTXSID301725675-Ethyl-1,3-bis(4-diethylamino-2-butynyl)-5-phenylbarbituric acid dihydrochloride1,3-Bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenylbarbituric acid dihydrochlorideRefChem:320597DTXCID90950581,3-Bis[4-(diethylamino)but-2-yn-1-yl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione--hydrogen chloride (1/2)
Database identifiers
- CAS
1907-84-2- PubChem CID
- 15930
- DTXSID
DTXSID30172567
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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