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Chemical ID: 5973129
Chemical ID:
5973129
Name [?]:
4-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-furylmethyl)butanamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3ccco3
InChi [?]:
InChI=1/C19H20N2O5/c1-13(22)14-6-7-17-16(10-14)21(19(24)12-26-17)8-2-5-18(23)20-11-15-4-3-9-25-15/h3-4,6-7,9-10H,2,5,8,11-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,24,23,17,5,6,15,25,9,21,13,2,4,22,8,7,18,11,20,10,3,19,12,26,14/rA:26nCCOCCCCCCNCOCOCCCCONCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62746 |
Area: | 595.241 |
Solvation: | -6.25355 |
Coulombic: | -57.49 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.73 |
LogP (Chemaxon): | -0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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