Chemical ID: 5799911

COc1cc(cc(c1O)I)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
5799911
Name [?]:
5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)I)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C17H13IN2O3S/c1-23-13-8-10(7-12(18)15(13)21)9-14-16(22)20-17(24-14)19-11-5-3-2-4-6-11/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,6,4,11,5,18,7,3,12,8,13,16,10,17,15,9,14,2,24/E:(3,4)(5,6)/rA:24nCOCCCCCCOICCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13IN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.48987
Area:556.832
Solvation:-4.43092
Coulombic:-52.1023
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:452.267
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):4.81

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