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Chemical ID: 6262548
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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