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Chemical ID: 7140315
Chemical ID:
7140315
Name [?]:
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-(2,4-dimethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(cc3)OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C25H21ClN2O4S/c1-30-20-11-12-21(22(14-20)31-2)27-25-28-24(29)23(33-25)13-16-5-9-19(10-6-16)32-15-17-3-7-18(26)8-4-17/h3-14H,15H2,1-2H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,27,31,19,23,28,30,20,22,4,5,17,8,25,18,26,29,21,3,6,7,16,14,12,32,11,13,15,2,9,24,33/E:(3,4)(5,6)(7,8)(9,10)/rA:33nCOCCCCCCOCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;s29;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21ClN2O4S |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7108 |
Area: | 721.314 |
Solvation: | -6.32205 |
Coulombic: | -51.8446 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 480.964 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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