Chemical ID: 5940313

C=CCNc1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3)F
Chemical ID:
5940313
Name [?]:
N-[4-(2-allylaminothiazol-4-yl)phenyl]-4-fluoro-benzamide
SMILES [?]:
C=CCNc1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H16FN3OS/c1-2-11-21-19-23-17(12-25-19)13-5-9-16(10-6-13)22-18(24)14-3-7-15(20)8-4-14/h2-10,12H,1,11H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,11,15,21,23,12,14,3,8,10,19,22,13,7,17,5,25,4,16,6,18,9/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCNCNCCSCCCCCCNCOCCCCCCF/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9562
Area:576.547
Solvation:-3.45747
Coulombic:-45.6434
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.414
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):4.9

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