Chemical ID: 6877592

CCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)F
Chemical ID:
6877592
Name [?]:
3-(4-fluorophenyl)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C21H19FN2O2S/c1-2-13-26-18-10-6-16(7-11-18)19-14-27-21(23-19)24-20(25)12-5-15-3-8-17(22)9-4-15/h3-12,14H,2,13H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,26,20,7,9,23,25,6,10,19,3,12,21,8,24,5,11,17,14,27,15,16,18,4,13/E:(3,4)(6,7)(8,9)(10,11)/rA:27nCCCOCCCCCCCCSCNNCOCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19FN2O2S
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3171
Area:601.525
Solvation:-4.721
Coulombic:-39.6056
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:382.452
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.96
LogP (Chemaxon):5.73

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