Chemical ID: 6877525

Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3)OC
Chemical ID:
6877525
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C21H20N2O2S/c1-14-4-8-17(12-15(14)2)19-13-26-21(22-19)23-20(24)11-7-16-5-9-18(25-3)10-6-16/h4-13H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,26,3,20,24,18,4,21,23,17,6,10,2,7,19,5,22,9,15,12,13,14,16,25,11/E:(5,6)(9,10)/rA:26nCCCCCCCCCCSCNNCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O2S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3625
Area:582.143
Solvation:-4.19106
Coulombic:-35.254
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:364.462
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):5.72

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Descriptor Annotations

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