Chemical ID: 6461892

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC(C)C)S2
Chemical ID:
6461892
Name [?]:
5-[(4-isopropoxy-3-methoxy-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC(C)C)S2
InChi [?]:
InChI=1/C21H22N2O3S/c1-13(2)26-17-10-7-15(11-18(17)25-4)12-19-20(24)23-21(27-19)22-16-8-5-14(3)6-9-16/h5-13H,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:25,26,1,22,3,7,16,4,6,17,20,14,24,2,15,5,18,19,13,11,9,8,10,12,21,23,27/E:(1,2)(5,6)(8,9)/rA:27nCCCCCCCNCNCOCCCCCCCCOCOCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s24;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.98076
Area:604.907
Solvation:-5.14193
Coulombic:-43.3018
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.97
LogP (Chemaxon):5.07

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Descriptor Annotations

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