2,2,2-trifluoroethyl 2-[(azepane-1-carbothioyl)carbamoyl]benzoate
AlkaPlorer ID: AK251753
Synonym: None
IUPAC Name: 2,2,2-trifluoroethyl 2-(azepane-1-carbothioylcarbamoyl)benzoate
Structure
SMILES: O=C(NC(=S)N1CCCCCC1)C1=CC=CC=C1C(=O)OCC(F)(F)F
InChI: InChI=1S/C17H19F3N2O3S/c18-17(19,20)11-25-15(24)13-8-4-3-7-12(13)14(23)21-16(26)22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-11H2,(H,21,23,26)
InChIKey: FVWUCHDNMKUQBD-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 388.4110000000001
TPSA？: 58.64
MolLogP？: 3.296400000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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