Chemical ID: 7143221

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
Chemical ID:
7143221
Name [?]:
methyl 4-[[2-(4-acetamidophenyl)amino-4-oxo-thiazol-5-ylidene]methyl]benzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
InChi [?]:
InChI=1/C20H17N3O4S/c1-12(24)21-15-7-9-16(10-8-15)22-20-23-18(25)17(28-20)11-13-3-5-14(6-4-13)19(26)27-2/h3-11H,1-2H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,19,23,20,22,6,10,7,9,17,2,18,21,5,8,16,14,24,12,4,11,13,3,15,25,26,28/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCONCCCCCCNCNCOCCCCCCCCCOOCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O4S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.5174
Area:625.161
Solvation:-4.11159
Coulombic:-67.7448
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.12
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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