Chemical ID: 6009136

CCCCCc1ccc(cc1)C(=O)N(CCCN(C)C)CC(=O)Nc2nccs2
Chemical ID:
6009136
Name [?]:
N-(3-dimethylaminopropyl)-4-pentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCCN(C)C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C22H32N4O2S/c1-4-5-6-8-18-9-11-19(12-10-18)21(28)26(15-7-14-25(2)3)17-20(27)24-22-23-13-16-29-22/h9-13,16H,4-8,14-15,17H2,1-3H3,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,3,4,16,5,7,11,8,10,27,17,15,28,21,6,9,22,12,25,26,24,18,14,23,13,29/E:(2,3)(9,10)(11,12)/rA:29nCCCCCCCCCCCCONCCCNCCCCONCNCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.8622
Area:700.324
Solvation:-4.64586
Coulombic:-48.5805
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:416.581
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):3.08

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