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Chemical ID: 6353247
Chemical ID:
6353247
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-3,4,5-triethoxy-benzamide
SMILES [?]:
CCOc1cc(cc(c1OCC)OCC)C(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C18H24N2O4S/c1-6-22-14-9-13(10-15(23-7-2)16(14)24-8-3)17(21)20-18-19-11(4)12(5)25-18/h9-10H,6-8H2,1-5H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,12,25,24,2,14,11,5,7,21,22,6,4,8,9,16,19,20,18,17,3,13,10,23/E:(1,2)(6,7)(9,10)(14,15)(22,23)/rA:25nCCOCCCCCCOCCOCCCONCNCCSCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;d19;s20;d21;s19s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53691 |
Area: | 607.835 |
Solvation: | -6.65897 |
Coulombic: | -46.8587 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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