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Chemical ID: 7140378
Chemical ID:
7140378
Name [?]:
5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C26H23ClN2O5S/c1-31-19-9-10-20(22(14-19)32-2)28-26-29-25(30)24(35-26)13-17-6-11-21(23(12-17)33-3)34-15-16-4-7-18(27)8-5-16/h4-14H,15H2,1-3H3,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,10,25,29,33,19,30,32,4,5,20,23,17,8,27,28,18,31,3,6,21,7,22,16,14,12,34,11,13,15,2,9,24,26,35/E:(4,5)(7,8)/rA:35nCOCCCCCCOCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClN2O5S |
All Atoms: | 58 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.367 |
Area: | 759.358 |
Solvation: | -8.6169 |
Coulombic: | -57.7555 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 510.99 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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