Chemical ID: 5403558

Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
5403558
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2OS2/c1-12-4-3-5-16(13(12)2)21-18(23)11-25-19-22-17(10-24-19)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,20,24,21,23,17,12,2,7,19,22,6,16,10,14,25,9,15,11,18,13/E:(6,7)(8,9)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;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:12.0992
Area:603.964
Solvation:-2.99985
Coulombic:-27.9198
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:433.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.17
LogP (Chemaxon):5.88

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