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Chemical ID: 7143056
Chemical ID:
7143056
Name [?]:
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC
InChi [?]:
InChI=1/C27H25ClN2O5S/c1-4-34-24-13-18(7-12-22(24)35-16-17-5-8-19(28)9-6-17)14-25-26(31)30-27(36-25)29-21-11-10-20(32-2)15-23(21)33-3/h5-15H,4,16H2,1-3H3,(H,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,36,34,2,13,17,7,14,16,29,28,8,5,19,31,11,12,6,15,30,27,9,32,4,20,21,24,18,26,23,22,35,33,3,10,25/E:(5,6)(8,9)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCOCOC/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;s32;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25ClN2O5S |
All Atoms: | 61 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2197 |
Area: | 793.413 |
Solvation: | -7.61564 |
Coulombic: | -59.6139 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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