UCSF

ZINC03048494

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 28 Yes

Popular Name: ethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate ethyl 1-(4-chlorobenzyl)-4-(4-ch…

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CAS Number: 338966-56-6

Other Names:

MFCD00664313

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) 5.80 3.24 -8.54 0 4 0 46 418.32 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics

Activity (Go SEA)

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