4-Oxazolidinone, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-

HCID 112559

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Basic information

CAS: 63123-23-9
Standard SMILES: CCCCCCCN1C(=O)C(=CC=C2Oc3ccccc3N2CC)OC1=S
InChIKey: MYVBWGAQWCPQTP-UHFFFAOYSA-N
Molecular formula: C21H26N2O3S
Average molar mass: 386.5 g/mol
Monoisotopic mass: 386.16641387

Names & identifiers

Preferred name: 4-Oxazolidinone, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-
IUPAC: 5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-sulfanylidene-1,3-oxazolidin-4-one

Names & synonyms

EINECS 263-872-34-Oxazolidinone, 5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-3-heptyl-2-thioxo-4-Oxazolidinone, 5-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-3-heptyl-2-thioxo-4-Oxazolidinone, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-4-Oxazolidinone, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-RefChem:52611263123-23-95-[(3-Ethyl-(3H)-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-thioxooxazolidine-4-one5-((3-Ethyl-(3H)-benzoxazol-2-ylidene)ethylidene)-3-heptyl-2-thioxooxazolidine-4-oneMYVBWGAQWCPQTP-UHFFFAOYSA-NDB-317049

Database identifiers

CAS: 63123-23-9
PubChem CID: 112559
DTXSID: DTXSID5069679
EC Number: 263-872-3

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 74.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 617

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Oxazolidinone, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-: INACTIVE

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Compound notes

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