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Chemical ID: 7142988
Chemical ID:
7142988
Name [?]:
2-[5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C24H17ClN2O4S/c25-17-10-8-15(9-11-17)14-31-18-5-3-4-16(12-18)13-21-22(28)27-24(32-21)26-20-7-2-1-6-19(20)23(29)30/h1-13H,14H2,(H,29,30)(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,6,3,26,30,27,29,22,16,24,25,17,28,21,5,4,15,13,7,11,31,10,12,14,8,9,23,32/E:(8,9)(10,11)(29,30)/rA:32nCCCCCCCOONCNCOCCCCCCCCOCCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17ClN2O4S |
All Atoms: | 49 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.4549 |
Area: | 699.871 |
Solvation: | -4.0419 |
Coulombic: | -67.0688 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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