Chemical ID: 6287314

Cc1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4)C
Chemical ID:
6287314
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-2,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4)C
InChi [?]:
InChI=1/C19H16N2O3S/c1-11-3-4-12(2)14(7-11)18(22)21-19-20-15(9-25-19)13-5-6-16-17(8-13)24-10-23-16/h3-9H,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,17,18,7,21,14,23,2,5,16,6,13,19,20,8,11,12,10,9,24,22,15/rA:25nCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0644
Area:550.44
Solvation:-3.6966
Coulombic:-44.5072
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.46
LogP (Chemaxon):5.06

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Descriptor Annotations

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