Chemical ID: 3987936

c1ccc(cc1)CC(c2nc(cs2)C(=O)NCc3ccc(c(c3)F)F)N
Chemical ID:
3987936
Name [?]:
2-(1-amino-2-phenyl-ethyl)-N-[(3,4-difluorophenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)CC(c2nc(cs2)C(=O)NCc3ccc(c(c3)F)F)N
InChi [?]:
InChI=1/C19H17F2N3OS/c20-14-7-6-13(8-15(14)21)10-23-18(25)17-11-26-19(24-17)16(22)9-12-4-2-1-3-5-12/h1-8,11,16H,9-10,22H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,23,7,17,12,4,18,21,22,8,11,14,9,25,24,26,16,10,15,13/E:(2,3)(4,5)/rA:26cCCCCCCCCCNCCSCONCCCCCCCFFN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F2N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7212
Area:589.172
Solvation:-4.00807
Coulombic:-50.4573
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.421
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):3.35

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