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Chemical ID: 6009110
Chemical ID:
6009110
Name [?]:
N-hexyl-3-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C19H25N3O3S/c1-3-4-5-6-11-22(14-17(23)21-19-20-10-12-26-19)18(24)15-8-7-9-16(13-15)25-2/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,4,5,21,20,22,14,6,15,24,8,19,23,9,17,12,13,11,7,10,18,25,16/rA:26nCCCCCCNCCONCNCCSCOCCCCCCOC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98645 |
Area: | 618.566 |
Solvation: | -5.47771 |
Coulombic: | -50.0001 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 375.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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