Chemical ID: 6009109

CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)CCCC
Chemical ID:
6009109
Name [?]:
4-butyl-N-hexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)CCCC
InChi [?]:
InChI=1/C22H31N3O2S/c1-3-5-7-8-15-25(17-20(26)24-22-23-14-16-28-22)21(27)19-12-10-18(11-13-19)9-6-4-2/h10-14,16H,3-9,15,17H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,2,27,3,26,4,5,25,21,23,20,24,14,6,15,8,22,19,9,17,12,13,11,7,10,18,16/E:(10,11)(12,13)/rA:28nCCCCCCNCCONCNCCSCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0305
Area:685.189
Solvation:-4.0992
Coulombic:-44.8444
Bond Count [?]
All:29
Single:22
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:401.567
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):5.19

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Descriptor Annotations

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