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Chemical ID: 6150298
Chemical ID:
6150298
Name [?]:
N-[4-(4-bromophenyl)-3-ethyl-thiazol-2-ylidene]benzenesulfonamide
SMILES [?]:
CCn1c(csc1=NS(=O)(=O)c2ccccc2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H15BrN2O2S2/c1-2-20-16(13-8-10-14(18)11-9-13)12-23-17(20)19-24(21,22)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,19,23,20,22,5,18,21,12,4,7,24,8,3,10,11,6,9/E:(4,5)(6,7)(8,9)(10,11)(21,22)/CRV:24.6/rA:24nCCNCCSCNSOOCCCCCCCCCCCCBr/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s4;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15BrN2O2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8767 |
Area: | 535.129 |
Solvation: | -1.5015 |
Coulombic: | -17.9518 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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