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Chemical ID: 6009115
Chemical ID:
6009115
Name [?]:
N-hexyl-2-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C19H25N3O3S/c1-3-4-5-8-12-22(14-17(23)21-19-20-11-13-26-19)18(24)15-9-6-7-10-16(15)25-2/h6-7,9-11,13H,3-5,8,12,14H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,4,21,22,5,20,23,14,6,15,8,19,24,9,17,12,13,11,7,10,18,25,16/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;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76582 |
Area: | 617.794 |
Solvation: | -6.67904 |
Coulombic: | -49.0559 |
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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