SGC0946

SGC0946

CAS

1561178-17-3

PubChem CID

56962337

SMILES

CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O

分子式

C28H40BrN7O4

分子量

618.577

精确分子量

617.2325

InChI

InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1

InChIKey

IQCKJUKAQJINMK-HUBRGWSESA-N

LogP

3.6149

TPSA

150.79