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Chemical ID: 6452755
Chemical ID:
6452755
Name [?]:
5-[(2-methoxy-1-naphthyl)methylene]-3-(m-tolyl)-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2N(C(=O)C(=Cc3c4ccccc4ccc3OC)S2)c5cccc(c5)C
InChi [?]:
InChI=1/C29H24N2O2S/c1-19-8-6-11-22(16-19)30-29-31(23-12-7-9-20(2)17-23)28(32)27(34-29)18-25-24-13-5-4-10-21(24)14-15-26(25)33-3/h4-18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,26,19,18,4,30,3,31,20,5,29,17,22,23,7,33,14,2,32,21,6,28,16,15,24,13,11,9,8,10,12,25,27/rA:34nCCCCCCCNCNCOCCCCCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;s9s13;s10;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N2O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1275 |
Area: | 618.92 |
Solvation: | -3.34548 |
Coulombic: | -33.8765 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 464.579 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.85 |
LogP (Chemaxon): | 7.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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