Chemical ID: 4410303

c1cc(cc(c1)OCC(=O)N)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(=O)O
Chemical ID:
4410303
Name [?]:
3-[5-[[3-(carbamoylmethoxy)phenyl]methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)OCC(=O)N)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C19H15N3O5S/c20-16(23)10-27-14-6-1-3-11(7-14)8-15-17(24)22-19(28-15)21-13-5-2-4-12(9-13)18(25)26/h1-9H,10H2,(H2,20,23)(H,25,26)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,2,23,21,6,4,12,25,8,3,24,20,5,13,9,14,26,17,11,19,16,10,15,27,28,7,18/E:(25,26)/rA:28nCCCCCCOCCONCCCONCSNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s3;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.54428
Area:616.438
Solvation:-5.86665
Coulombic:-88.2126
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:397.406
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:1.54
LogP (Chemaxon):2.14

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