Chemical ID: 6262548

COc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
Chemical ID:
6262548
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H14N2O4S/c1-22-13-5-2-11(3-6-13)17(21)20-18-19-14(9-25-18)12-4-7-15-16(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,18,4,8,19,22,15,24,6,17,3,14,20,21,9,12,13,11,10,2,25,23,16/E:(2,3)(5,6)/rA:25nCOCCCCCCCONCNCCSCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.68512
Area:553.647
Solvation:-5.15606
Coulombic:-50.7904
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.5
LogP (Chemaxon):3.88

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Descriptor Annotations

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