Chemical ID: 6366527

CCc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)F
Chemical ID:
6366527
Name [?]:
N-[4-(4-ethylphenyl)thiazol-2-yl]-3-(4-fluorophenyl)-prop-2-enamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H17FN2OS/c1-2-14-3-8-16(9-4-14)18-13-25-20(22-18)23-19(24)12-7-15-5-10-17(21)11-6-15/h3-13H,2H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,20,24,18,5,7,21,23,17,10,3,19,6,22,9,15,12,25,13,14,16,11/E:(3,4)(5,6)(8,9)(10,11)/rA:25nCCCCCCCCCCSCNNCOCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17FN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4512
Area:557.604
Solvation:-3.48887
Coulombic:-32.8626
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:352.426
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.16
LogP (Chemaxon):6.04

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Descriptor Annotations

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