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Chemical ID: 5914003
Chemical ID:
5914003
Name [?]:
N-hexyl-3-methyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C19H25N3O2S/c1-3-4-5-6-11-22(14-17(23)21-19-20-10-12-25-19)18(24)16-9-7-8-15(2)13-16/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,5,21,22,20,14,6,15,24,8,23,19,9,17,12,13,11,7,10,18,16/rA:25nCCCCCCNCCONCNCCSCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9997 |
Area: | 603.141 |
Solvation: | -4.07886 |
Coulombic: | -43.8594 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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