Zotatifin

Zotatifin

CAS

2098191-53-6

PubChem CID

129138801

SMILES

CN(C)C[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

分子式

C28H29N3O5

分子量

487.556

精确分子量

487.2107

InChI

InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1

InChIKey

QYCXWOACFWMQFO-WZWZCULESA-N

LogP

2.7821

TPSA

108.07