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Chemical ID: 7141261
Chemical ID:
7141261
Name [?]:
2-(4-butylphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C24H22N2OS/c1-2-3-7-17-12-14-20(15-13-17)25-24-26-23(27)22(28-24)16-19-10-6-9-18-8-4-5-11-21(18)19/h4-6,8-16H,2-3,7H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,25,20,4,27,21,19,24,6,10,7,9,17,5,22,18,8,23,16,14,12,11,13,15,28/E:(12,13)(14,15)/rA:28nCCCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2OS |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.292 |
Area: | 618.254 |
Solvation: | -2.16435 |
Coulombic: | -32.1477 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.51 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.4 |
LogP (Chemaxon): | 7.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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