RTI-336

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Synonyms
Status
Molecule Category Free-form
UNII 667440B6Z7

Structure

InChI Key AUXUFNHAVGIVDC-DXTSEPBQSA-N
Smiles Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1
InChI
InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3/t19?,20-,22?,24+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25ClN2O
Molecular Weight 392.93
AlogP 6.04
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.27
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL1186581
FDA SRS 667440B6Z7
PubChem 11524766
SureChEMBL SCHEMBL14173984
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