Vanzacaftor

Vanzacaftor

CAS

2374124-49-7

PubChem CID

139399801

SMILES

CC1(C[C@@H]2CCCNC3=NC(=CC=C3)S(=O)(=O)NC(=O)C4=C(N1C2)N=C(C=C4)N5C=CC(=N5)OCCC6C7(C68CC8)CC7)C

分子式

C32H39N7O4S

分子量

617.776

精确分子量

617.2784

InChI

InChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1

InChIKey

VCSUIBJKYCVWNF-NRFANRHFSA-N

LogP

4.5507

TPSA

131.34