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Chemical ID: 5370607
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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