[1-[[[3-[2-[[2-(4-Methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
Completing data — refresh the page later to see the latest
Basic information
- CAS
5774-98-1- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNC(=O)CC(=O)NN=Cc2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1- InChIKey
UIOMGZWZVTWVEB-UHFFFAOYSA-N- Molecular formula
- C39H32N4O8S2
- Average molar mass
- 748.8 g/mol
- Monoisotopic mass
- 748.16615634
Names & identifiers
- Preferred name
- [1-[[[3-[2-[[2-(4-Methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
- IUPAC
- [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
- English name
- 2-AMino-5-(benzyloxy)pyriMidine-4,6(1H,5H)-dione
- Molecular formula
- C11H11N3O3
- Molecular weight
- 233.22
Names & synonyms
[1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonateCID 5239085ChemDivAM_001052ChemDiv1_024973DTXSID40412401{[(1,3-Dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]naphthalene-1,2-diyl} bis(4-methylbenzene-1-sulfonate)2-AMino-5-(benzyloxy)pyriMidine-4,6(1H,5H)-dione4,6(1H,5H)-Pyrimidinedione, 2-amino-5-(phenylmethoxy)-
Database identifiers
- CAS
5774-98-1- PubChem CID
- 5239085
- DTXSID
DTXSID40412401
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- Melting point
- 220 · 220-221 °C
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.02 · 7.02±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…