Chemical ID: 7141070

c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4cccc(c4)Br)S3
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

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