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Chemical ID: 6003061
Chemical ID:
6003061
Name [?]:
2-bromo-N-cyclohexyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccccc3Br
InChi [?]:
InChI=1/C19H22BrN3O2S/c1-13-12-26-19(21-13)22-17(24)11-23(14-7-3-2-4-8-14)18(25)15-9-5-6-10-16(15)20/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,22,23,13,17,21,24,10,3,2,12,20,25,8,18,5,26,6,7,11,9,19,4/E:(3,4)(7,8)/rA:26nCCCSCNNCOCNCCCCCCCOCCCCCCBr/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22BrN3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0755 |
Area: | 577.746 |
Solvation: | -4.36817 |
Coulombic: | -42.9804 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 436.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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