Chemical ID: 5616817

c1cc(ccc1C#N)C(=O)Nc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
5616817
Name [?]:
N-[4-(4-bromophenyl)thiazol-2-yl]-4-cyano-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)Nc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H10BrN3OS/c18-14-7-5-12(6-8-14)15-10-23-17(20-15)21-16(22)13-3-1-11(9-19)2-4-13/h1-8,10H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,22,19,21,7,15,6,17,3,20,14,9,12,23,8,13,11,10,16/E:(1,2)(3,4)(5,6)(7,8)/rA:23nCCCCCCCNCONCNCCSCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10BrN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0629
Area:552.143
Solvation:-2.74068
Coulombic:-32.2759
Bond Count [?]
All:25
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.251
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):5.05

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