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Chemical ID: 6165514
Chemical ID:
6165514
Name [?]:
2-[3-[[2-(2-chlorophenyl)amino-4-oxo-thiazol-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccc(c3)OCC(=O)O)S2)Cl
InChi [?]:
InChI=1/C18H13ClN2O4S/c19-13-6-1-2-7-14(13)20-18-21-17(24)15(26-18)9-11-4-3-5-12(8-11)25-10-16(22)23/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,17,3,6,19,13,21,14,18,4,5,12,22,10,8,26,7,9,23,24,11,20,25/E:(22,23)/rA:26nCCCCCCNCNCOCCCCCCCCOCCOOSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;d22;s22;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3748 |
Area: | 591.993 |
Solvation: | -4.42506 |
Coulombic: | -64.4441 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.826 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.27 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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