Structure

InChI Key DWRIJNIPBUFCQS-DQEYMECFSA-N
Smile Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H35F7N4O3
Molecular Weight 668.65
AlogP 6.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 69.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 47.0

Cross References

Resources Reference
ChEMBL CHEMBL4802157