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Chemical ID: 6003064
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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