Chemical ID: 7140411

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccc(cc4OC)OC)S3
Chemical ID:
7140411
Name [?]:
5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccc(cc4OC)OC)S3
InChi [?]:
InChI=1/C27H25ClN2O5S/c1-4-34-24-13-17(9-12-22(24)35-16-18-7-5-6-8-20(18)28)14-25-26(31)30-27(36-25)29-21-11-10-19(32-2)15-23(21)33-3/h5-15H,4,16H2,1-3H3,(H,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,35,33,2,14,15,13,16,7,28,27,8,5,19,30,11,6,12,29,17,26,9,31,4,20,21,24,18,25,23,22,34,32,3,10,36/rA:36nCCOCCCCCCOCCCCCCCClCCCONCNCCCCCCOCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;s32;s29;s34;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25ClN2O5S
All Atoms:61
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.6295
Area:776.594
Solvation:-7.78533
Coulombic:-58.8784
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:525.017
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.24
LogP (Chemaxon):5.98

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Descriptor Annotations

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