Chemical ID: 5542829

CCN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccc(c(c3)Cl)Cl)SC1=Nc4ccc(cc4)C(=O)OC
Chemical ID:
5542829
Name [?]:
methyl 4-[5-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccc(c(c3)Cl)Cl)SC1=Nc4ccc(cc4)C(=O)OC
InChi [?]:
InChI=1/C28H24Cl2N2O5S/c1-4-32-26(33)25(38-28(32)31-20-9-7-19(8-10-20)27(34)36-3)15-17-6-12-23(24(14-17)35-2)37-16-18-5-11-21(29)22(30)13-18/h5-15H,4,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,38,2,19,9,31,33,30,34,20,10,23,13,7,17,8,18,32,29,21,22,11,12,6,4,35,27,25,24,28,3,5,36,14,37,16,26/E:(7,8)(9,10)/rA:38nCCNCOCCCCCCCCOCOCCCCCCCClClSCNCCCCCCCOOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s6;s3s26;w27;s28;s29;d30;s31;d32;d29s33;s32;d35;s35;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24Cl2N2O5S
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.7551
Area:810.493
Solvation:-6.50719
Coulombic:-60.4573
Bond Count [?]
All:41
Single:28
Double:13
Rotors:9
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:571.472
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:6.11
LogP (Chemaxon):6.8

Name Annotations

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Descriptor Annotations

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