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Chemical ID: 3951263
Chemical ID:
3951263
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C19H18N2O5/c1-12-2-4-15-14(6-12)21(19(23)10-24-15)9-18(22)20-8-13-3-5-16-17(7-13)26-11-25-16/h2-7H,8-11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,4,20,7,23,17,13,11,25,2,18,6,5,21,22,14,9,16,8,15,10,12,26,24/rA:26nCCCCCCCNCOCOCCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06987 |
Area: | 557.796 |
Solvation: | -5.87503 |
Coulombic: | -61.4404 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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