Acetamide, 2-[(3-chloro-4-fluorophenyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]-
化学名:Acetamide, 2-[(3-chloro-4-fluorophenyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]-
CAS番号.853695-44-0
英語名:Acetamide, 2-[(3-chloro-4-fluorophenyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]-
CBNumberCB211289090
MFC19H21ClFN3O3S
MW425.9
MOL File853695-44-0.mol
Acetamide, 2-[(3-chloro-4-fluorophenyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]-物理性質
比重(密度) | 1.429±0.06 g/cm3(Predicted) |
酸解離定数(Pka) | 13.28±0.70(Predicted) |
InChI | InChI=1S/C19H21ClFN3O3S/c20-17-12-15(6-9-18(17)21)22-13-19(25)23-14-4-7-16(8-5-14)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25) |
InChIKey | VXFKIHSAOLPRJD-UHFFFAOYSA-N |
SMILES | C(NC1=CC=C(S(N2CCCCC2)(=O)=O)C=C1)(=O)CNC1=CC=C(F)C(Cl)=C1 |