EMVODODSTAT

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Synonyms
Status
Molecule Category Free-form
UNII 053QD2I96A

Structure

InChI Key SRSHBZRURUNOSM-DEOSSOPVSA-N
Smiles COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1
InChI
InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H20Cl2N2O3
Molecular Weight 467.35
AlogP 6.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.56
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Cross References

Resources Reference
ChEMBL CHEMBL4650336
FDA SRS 053QD2I96A
CONTENTS