Chemical ID: 5360902

CCc1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
5360902
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2OS2/c1-2-13-3-9-16(10-4-13)21-18(23)12-25-19-22-17(11-24-19)14-5-7-15(20)8-6-14/h3-11H,2,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,20,24,21,23,5,7,17,12,3,19,22,6,16,10,14,25,9,15,11,18,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrN2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.331
Area:613.237
Solvation:-2.99994
Coulombic:-28.3257
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:433.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.4
LogP (Chemaxon):6.46

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