Chemical ID: 6263638

Cc1cccc(c1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
Chemical ID:
6263638
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H14N2O3S/c1-11-3-2-4-13(7-11)17(21)20-18-19-14(9-24-18)12-5-6-15-16(8-12)23-10-22-15/h2-9H,10H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,17,18,7,21,14,23,2,16,6,13,19,20,8,11,12,10,9,24,22,15/rA:24nCCCCCCCCONCNCCSCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;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:9.59361
Area:536.165
Solvation:-3.81052
Coulombic:-44.5754
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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