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Chemical ID: 6452792
Chemical ID:
6452792
Name [?]:
5-[(3-methoxyphenyl)methylene]-3-(o-tolyl)-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)c4ccccc4C
InChi [?]:
InChI=1/C25H22N2O2S/c1-17-9-4-6-13-21(17)26-25-27(22-14-7-5-10-18(22)2)24(28)23(30-25)16-19-11-8-12-20(15-19)29-3/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,22,4,27,5,26,17,3,28,16,18,6,25,20,14,2,29,15,19,7,24,13,11,9,8,10,12,21,23/rA:30nCCCCCCCNCNCOCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;s10;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8409 |
Area: | 570.042 |
Solvation: | -3.4101 |
Coulombic: | -33.7007 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.52 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.17 |
LogP (Chemaxon): | 6.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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