Chemical ID: 6468855

CN1C(=O)C(=Cc2cc(c(cc2Br)OC)OC)SC1=Nc3ccc(cc3)OC
Chemical ID:
6468855
Name [?]:
5-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2cc(c(cc2Br)OC)OC)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H19BrN2O4S/c1-23-19(24)18(10-12-9-16(26-3)17(27-4)11-15(12)21)28-20(23)22-13-5-7-14(25-2)8-6-13/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,17,15,22,26,23,25,8,6,11,7,21,24,12,9,10,5,3,19,13,20,2,4,27,16,14,18/E:(5,6)(7,8)/rA:28nCNCOCCCCCCCCBrOCOCSCNCCCCCCOC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s10;s14;s9;s16;s5;s2s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.47301
Area:599.889
Solvation:-6.52422
Coulombic:-44.8046
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:463.346
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.51
LogP (Chemaxon):4.63

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Descriptor Annotations

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