UCSF

ZINC69949496

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 Yes

Popular Name: 2,2,2-trifluoroethyl N-{4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-yl}carbamate 2,2,2-trifluoroethyl N-{4H,5H,6H…

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CAS Number: 1333827-60-3

Other Names:

MFCD20502241

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 5.86 -9.76 1 4 0 51 294.298 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.