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Chemical ID: 7143045
Chemical ID:
7143045
Name [?]:
3-[5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O
InChi [?]:
InChI=1/C27H23ClN2O5S/c1-3-34-23-12-17(9-11-22(23)35-15-19-6-4-5-7-20(19)28)13-24-25(31)30-27(36-24)29-21-14-18(26(32)33)10-8-16(21)2/h4-14H,3,15H2,1-2H3,(H,32,33)(H,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,14,15,13,16,31,7,30,8,5,19,28,11,32,6,29,12,17,27,9,4,20,21,34,24,18,26,23,22,35,36,3,10,25/E:(32,33)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;d23;s20s24;s24;s26;s27;d28;s29;d30;d27s31;s32;s29;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23ClN2O5S |
All Atoms: | 59 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.1053 |
Area: | 765.37 |
Solvation: | -6.02897 |
Coulombic: | -72.9371 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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