Chemical ID: 6269093

Cc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
Chemical ID:
6269093
Name [?]:
N-[4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C19H16N2O3S/c1-12-2-4-13(5-3-12)18(22)21-19-20-15(11-25-19)14-6-7-16-17(10-14)24-9-8-23-16/h2-7,10-11H,8-9H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,18,24,23,21,14,2,5,16,13,19,20,8,11,12,10,9,25,22,15/E:(2,3)(4,5)/rA:25nCCCCCCCCONCNCCSCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.83756
Area:551.544
Solvation:-3.95104
Coulombic:-44.6128
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:3.89
LogP (Chemaxon):4.23

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Descriptor Annotations

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