Chemical ID: 5625935

COc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)NC(=Nc4ccccc4Cl)S3
Chemical ID:
5625935
Name [?]:
2-(2-chlorophenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)NC(=Nc4ccccc4Cl)S3
InChi [?]:
InChI=1/C24H18Cl2N2O3S/c1-30-21-12-16(8-11-20(21)31-14-15-6-9-17(25)10-7-15)13-22-23(29)28-24(32-22)27-19-5-3-2-4-18(19)26/h2-13H,14H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,12,16,6,13,15,7,4,18,10,11,5,14,30,25,8,3,19,20,23,17,31,24,22,21,2,9,32/E:(6,7)(9,10)/rA:32nCOCCCCCCOCCCCCCCClCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2N2O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.2526
Area:717.352
Solvation:-5.68117
Coulombic:-45.6452
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:485.383
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.61
LogP (Chemaxon):6.66

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Descriptor Annotations

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