Chemical ID: 6263637

Cc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
Chemical ID:
6263637
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H14N2O3S/c1-11-2-4-12(5-3-11)17(21)20-18-19-14(9-24-18)13-6-7-15-16(8-13)23-10-22-15/h2-9H,10H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,18,21,14,23,2,5,16,13,19,20,8,11,12,10,9,24,22,15/E:(2,3)(4,5)/rA:24nCCCCCCCCONCNCCSCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.58264
Area:534.619
Solvation:-3.78283
Coulombic:-44.5622
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.381
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.02
LogP (Chemaxon):4.6

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Descriptor Annotations

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