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Chemical ID: 6263638
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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