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Chemical ID: 6001111
Chemical ID:
6001111
Name [?]:
3,5-dimethoxy-N-propyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCN(CC(=O)Nc1nccs1)C(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H21N3O4S/c1-4-6-20(11-15(21)19-17-18-5-7-25-17)16(22)12-8-13(23-2)10-14(9-12)24-3/h5,7-10H,4,6,11H2,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,25,2,11,3,12,21,17,19,5,16,20,18,6,14,9,10,8,4,7,15,22,24,13/E:(2,3)(8,9)(13,14)(23,24)/rA:25nCCCNCCONCNCCSCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s4;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s18;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31935 |
Area: | 567.156 |
Solvation: | -6.85956 |
Coulombic: | -54.6952 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 363.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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