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Chemical ID: 7143051
Chemical ID:
7143051
Name [?]:
N-[4-[5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C
InChi [?]:
InChI=1/C27H24ClN3O4S/c1-3-34-24-14-19(6-13-23(24)35-16-18-4-7-20(28)8-5-18)15-25-26(33)31-27(36-25)30-22-11-9-21(10-12-22)29-17(2)32/h4-15H,3,16H2,1-2H3,(H,29,32)(H,30,31,33)
InChi Info:
AuxInfo=1/1/N:1,36,2,13,17,7,14,16,29,31,28,32,8,5,19,11,34,12,6,15,30,27,9,4,20,21,24,18,33,26,23,35,22,3,10,25/E:(4,5)(7,8)(9,10)(11,12)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;d21;s21;d23;s20s24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24ClN3O4S |
All Atoms: | 60 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.883 |
Area: | 794.317 |
Solvation: | -6.97496 |
Coulombic: | -63.4606 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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