1,3-Bis[(carbamoylamino)-(2-hydroxyphenyl)methyl]urea

HCID 225539

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Basic information

CAS: 5439-24-7
Standard SMILES: NC(=O)NC(NC(=O)NC(NC(N)=O)c1ccccc1O)c1ccccc1O
InChIKey: QPTFNPBKBYNQCL-UHFFFAOYSA-N
Molecular formula: C17H20N6O5
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.14951776

Names & identifiers

Preferred name: 1,3-Bis[(carbamoylamino)-(2-hydroxyphenyl)methyl]urea
IUPAC: 1,3-bis[(carbamoylamino)-(2-hydroxyphenyl)methyl]urea

Names & synonyms

1,3-bis[(carbamoylamino)-(2-hydroxyphenyl)methyl]ureaNSC15080SCHEMBL6053856DTXSID40280006NSC-150805439-24-7N,N'-(Carbonylbis{azanediyl[(2-hydroxyphenyl)methylene]})diurea

Database identifiers

CAS: 5439-24-7、6301-26-4
PubChem CID: 225539
DTXSID: DTXSID40280006

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 192 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 516

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