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Chemical ID: 6009109
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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