N-[2-[3-(2-morpholin-4-yl-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide

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Basic information

CAS: 6229-25-0
Standard SMILES: O=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1cccc(C(F)(F)F)c1
InChIKey: ZOEFTYSULQXXKK-UHFFFAOYSA-N
Molecular formula: C24H24F3N3O3S
Average molar mass: 491.5 g/mol
Monoisotopic mass: 491.1490473

Names & identifiers

Preferred name: N-[2-[3-(2-morpholin-4-yl-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
IUPAC: N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide

Names & synonyms

6229-25-0N-[2-[3-(2-morpholin-4-yl-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamideN-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamideN-[2-(3-{[2-(MORPHOLIN-4-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-3-(TRIFLUOROMETHYL)BENZAMIDEDTXSID00411531MFCD04454280AKOS001761018

Database identifiers

CAS: 6229-25-0
PubChem CID: 5227430
DTXSID: DTXSID00411531

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 705

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Compound notes

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