Chemical ID: 4361162

CC(C)Oc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)c3ccccc3
Chemical ID:
4361162
Name [?]:
5-[(4-isopropoxy-3-methoxy-phenyl)methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)c3ccccc3
InChi [?]:
InChI=1/C20H19NO4S/c1-13(2)25-16-10-9-14(11-17(16)24-3)12-18-19(22)21(20(23)26-18)15-7-5-4-6-8-15/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,12,24,23,25,22,26,7,6,9,13,2,8,21,5,10,14,15,18,17,16,19,11,4,20/E:(1,2)(5,6)(7,8)/rA:26nCCCOCCCCCCOCCCCONCOSCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;d18;s14s18;s17;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.58517
Area:568.579
Solvation:-5.62931
Coulombic:-42.9005
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.435
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.59
LogP (Chemaxon):4.0

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Descriptor Annotations

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