Chemical ID: 5610133

c1ccc(cc1)N=C2NC(=O)C(=Cc3c4ccccc4cc5c3cccc5)S2
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

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Descriptor Annotations

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