Structure

InChI Key LLWJPGAKXJBKKA-UHFFFAOYSA-N
Smiles [Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35
InChI
InChI=1/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H32ClN3
Molecular Weight 505.23
AlogP 7.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 18.84
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 37.0

Cross References

Resources Reference
CAS NUMBER 2580-56-5
NORMAN SUSDAT
FDA SRS Z1V8UTB56C