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Chemical ID: 6041828
Chemical ID:
6041828
Name [?]:
N-(2-furylmethyl)-2-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccco3
InChi [?]:
InChI=1/C19H22N2O4/c1-19(2,3)13-6-7-16-15(9-13)21(18(23)12-25-16)11-17(22)20-10-14-5-4-8-24-14/h4-9H,10-12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,6,7,24,10,20,16,14,5,21,9,8,17,12,2,19,11,18,13,25,15/E:(1,2,3)/rA:25nCCCCCCCCCCNCOCOCCONCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s17;s19;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55971 |
Area: | 557.103 |
Solvation: | -5.36787 |
Coulombic: | -52.0921 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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