Chemical ID: 6003061

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccccc3Br
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

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Descriptor Annotations

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