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Chemical ID: 7141070
Chemical ID:
7141070
Name [?]:
5-[(3-bromophenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4cccc(c4)Br)S3
InChi [?]:
InChI=1/C20H13BrN2OS/c21-15-8-3-5-13(11-15)12-18-19(24)23-20(25-18)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,8,19,6,7,21,3,9,23,17,18,5,22,4,10,16,14,12,24,11,13,15,25/rA:25nCCCCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13BrN2OS |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9797 |
Area: | 555.699 |
Solvation: | -1.91278 |
Coulombic: | -31.6841 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 409.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 6.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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