Chemical ID: 6007271

CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
Chemical ID:
6007271
Name [?]:
4-butyl-N-cyclohexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
InChi [?]:
InChI=1/C22H29N3O2S/c1-2-3-7-17-10-12-18(13-11-17)21(27)25(19-8-5-4-6-9-19)16-20(26)24-22-23-14-15-28-22/h10-15,19H,2-9,16H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,25,27,4,24,28,6,10,7,9,20,21,14,5,8,23,15,11,18,19,17,13,16,12,22/E:(5,6)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCCCCONCCONCNCCSCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s13;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7303
Area:638.487
Solvation:-4.23185
Coulombic:-44.0926
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.551
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):4.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue