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Chemical ID: 5610133
Chemical ID:
5610133
Name [?]:
5-(9-anthrylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3c4ccccc4cc5c3cccc5)S2
InChi [?]:
InChI=1/C24H16N2OS/c27-23-22(28-24(26-23)25-18-10-2-1-3-11-18)15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,26,17,25,19,27,3,5,16,24,21,13,20,22,4,15,23,14,12,10,8,7,9,11,28/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(19,20)/rA:28nCCCCCCNCNCOCCCCCCCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;d14s22;s23;d24;s25;s22d26;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16N2OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7418 |
Area: | 566.986 |
Solvation: | -2.43288 |
Coulombic: | -31.6708 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.62 |
LogP (Chemaxon): | 6.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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