Chemical ID: 5360385

c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)Br
Chemical ID:
5360385
Name [?]:
N-(3-bromophenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)Br
InChi [?]:
InChI=1/C17H13BrN2OS2/c18-13-7-4-8-14(9-13)19-16(21)11-23-17-20-15(10-22-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,20,18,22,8,13,4,21,17,7,14,10,23,16,11,15,9,12/E:(2,3)(5,6)/rA:23nCCCCCCCCSCNSCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2348
Area:568.953
Solvation:-2.98898
Coulombic:-28.2408
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.334
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):5.6

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