Chemical ID: 6007452

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CCCCC2
Chemical ID:
6007452
Name [?]:
N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclohexanecarboxamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C18H29N3O2S/c1-3-4-8-11-21(17(23)15-9-6-5-7-10-15)13-16(22)20-18-19-12-14(2)24-18/h12,15H,3-11,13H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,22,21,23,4,20,24,5,13,7,14,19,8,17,11,12,10,6,9,18,15/E:(6,7)(9,10)/rA:24nCCCCCNCCONCNCCSCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5403
Area:590.386
Solvation:-4.21931
Coulombic:-41.523
Bond Count [?]
All:25
Single:21
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.508
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):3.28

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