Chemical ID: 6164535

COc1cc(cc(c1O)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
6164535
Name [?]:
5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-8-11(9-14(24-2)16(13)21)10-15-17(22)20-18(25-15)19-12-6-4-3-5-7-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,11,22,21,23,20,24,4,6,12,5,19,3,7,13,8,14,17,18,16,9,15,2,10,25/E:(1,2)(4,5)(6,7)(8,9)(13,14)(23,24)/rA:25nCOCCCCCCOOCCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.71436
Area:546.461
Solvation:-5.94717
Coulombic:-59.0306
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):3.56

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