Chemical ID: 6353247

CCOc1cc(cc(c1OCC)OCC)C(=O)Nc2nc(c(s2)C)C
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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Descriptor Annotations

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