N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

C18H14Br4N4O4S — CID 135436443

IUPACN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C\c1cc(Br)cc(Br)c1O)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C18H14Br4N4O4S/c19-11-1-9(17(29)13(21)3-11)5-23-25-15(27)7-31-8-16(28)26-24-6-10-2-12(20)4-14(22)18(10)30/h1-6,29-30H,7-8H2,(H,25,27)(H,26,28)/b23-5-,24-6-
InChIKeyOTZZLFLYYBVBKH-XIBKSJEISA-N
MW702.02 g/mol
LogP4.48
Rot. Bonds8

About N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 135436443) has the molecular formula C18H14Br4N4O4S and a molecular weight of 702.02 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID135436443
Molecular FormulaC18H14Br4N4O4S
Molecular Weight702.02 g/mol
Exact Mass697.75
IUPAC NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C\c1cc(Br)cc(Br)c1O)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C18H14Br4N4O4S/c19-11-1-9(17(29)13(21)3-11)5-23-25-15(27)7-31-8-16(28)26-24-6-10-2-12(20)4-14(22)18(10)30/h1-6,29-30H,7-8H2,(H,25,27)(H,26,28)/b23-5-,24-6-
InChIKeyOTZZLFLYYBVBKH-XIBKSJEISA-N
XLogP4.48
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.02
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 135436443) is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)N/N=C\c1cc(Br)cc(Br)c1O)N/N=C\c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is OTZZLFLYYBVBKH-XIBKSJEISA-N. The full InChI is InChI=1S/C18H14Br4N4O4S/c19-11-1-9(17(29)13(21)3-11)5-23-25-15(27)7-31-8-16(28)26-24-6-10-2-12(20)4-14(22)18(10)30/h1-6,29-30H,7-8H2,(H,25,27)(H,26,28)/b23-5-,24-6-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 702.02 g/mol, XLogP of 4.48, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 135436443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).