Chemical ID: 7143378

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)C(=O)O
Chemical ID:
7143378
Name [?]:
3-[5-(benzo[1,3]dioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)C(=O)O
InChi [?]:
InChI=1/C19H14N2O5S/c1-10-2-4-12(18(23)24)8-13(10)20-19-21-17(22)16(27-19)7-11-3-5-14-15(6-11)26-9-25-14/h2-8H,9H2,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,4,17,20,14,6,22,2,15,5,7,18,19,13,11,25,9,8,10,12,26,27,23,21,24/E:(23,24)/rA:27nCCCCCCCNCNCOCCCCCCCCOCOSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;s9s13;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O5S
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.78351
Area:569.066
Solvation:-4.44314
Coulombic:-72.2789
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:382.391
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.95
LogP (Chemaxon):3.87

Name Annotations

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Descriptor Annotations

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