Chemical ID: 5800740

COc1cc(cc(c1O)OC)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
Chemical ID:
5800740
Name [?]:
5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)OC)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C24H20N2O4S/c1-29-19-13-16(14-20(30-2)22(19)27)15-21-23(28)26(18-11-7-4-8-12-18)24(31-21)25-17-9-5-3-6-10-17/h3-15,27H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,22,29,21,23,28,30,20,24,27,31,4,6,12,5,19,26,3,7,13,8,14,17,18,16,9,15,2,10,25/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)(29,30)/rA:31nCOCCCCCCOOCCCCONCNCCCCCCSCCCCCC/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;s16;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.49642
Area:584.974
Solvation:-6.12793
Coulombic:-56.0816
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:432.493
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.22
LogP (Chemaxon):5.49

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Descriptor Annotations

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