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Diltiazem


  • SKU Code: CH136931
Chemical Name - Diltiazem
Mol Weight - 414.524
Smiles - CC(O[C@H]([C@H](c(cc1)ccc1OC)Sc(cccc1)c1N1CCN(C)C)C1=O)=O
Property Name Property Value
Mol NameDiltiazem
Molweight414.524
Monoisotopic Mass414.161328
Clogp2.4906
Clogs-3.408
H Acceptors6
Total Surface Area314.67
Relative Psa0.22458
Polar Surface Area84.38
Druglikeness7.5036
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.48276
Molecular Flexibility0.37986
Molecular Complexity0.88286
Fragments1
Non H Atoms29
Non Ch Atoms7
Electronegative Atoms7
Stereo Centers2
Rotatable Bonds7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms12
Symmetric Atoms3
Amides1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC(O[C@H]([C@H](c(cc1)ccc1OC)Sc(cccc1)c1N1CCN(C)C)C1=O)=O
InChIC22H26N2O4S

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