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Chemical ID: 5973078
Chemical ID:
5973078
Name [?]:
2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(2-pyridyl)ethyl]acetamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCc3ccccn3
InChi [?]:
InChI=1/C19H19N3O4/c1-13(23)14-5-6-17-16(10-14)22(19(25)12-26-17)11-18(24)21-9-7-15-4-2-3-8-20-15/h2-6,8,10H,7,9,11-12H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,5,6,20,25,19,9,15,13,2,4,21,8,7,16,11,26,18,10,3,17,12,14/rA:26nCCOCCCCCCNCOCOCCONCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23293 |
Area: | 579.016 |
Solvation: | -6.24246 |
Coulombic: | -55.6381 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.51 |
LogP (Chemaxon): | -0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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