Chemical ID: 5370607

c1cc(cc(c1)Cl)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
5370607
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(3-chlorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H12BrClN2OS2/c18-12-6-4-11(5-7-12)15-9-23-17(21-15)24-10-16(22)20-14-3-1-2-13(19)8-14/h1-9H,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,2,19,23,20,22,4,16,11,18,21,5,3,15,9,13,24,7,8,14,10,17,12/E:(4,5)(6,7)/rA:24nCCCCCCClNCOCSCNCCSCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClN2OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.2091
Area:605.678
Solvation:-2.9328
Coulombic:-28.3219
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:439.779
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.13
LogP (Chemaxon):6.11

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