Chemical ID: 6003064

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
6003064
Name [?]:
N-cyclohexyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H22F3N3O2S/c1-13-12-29-19(24-13)25-17(27)11-26(16-5-3-2-4-6-16)18(28)14-7-9-15(10-8-14)20(21,22)23/h7-10,12,16H,2-6,11H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,21,25,22,24,10,3,2,20,23,12,8,18,5,26,27,28,29,6,7,11,9,19,4/E:(3,4)(5,6)(7,8)(9,10)(21,22,23)/rA:29nCCCSCNNCOCNCCCCCCCOCCCCCCCFFF/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;s23;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F3N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.98808
Area:608.449
Solvation:-5.22314
Coulombic:-61.2519
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.469
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.18
LogP (Chemaxon):4.17

Name Annotations

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Descriptor Annotations

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