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Chemical ID: 5973479
Chemical ID:
5973479
Name [?]:
5-[(5-morpholinocarbonyl-2-furyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C18H18N2O5/c21-17-12-24-15-4-2-1-3-14(15)20(17)11-13-5-6-16(25-13)18(22)19-7-9-23-10-8-19/h1-6H,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,15,21,25,22,24,12,10,13,5,4,16,8,18,20,7,9,19,23,11,17/E:(7,8)(9,10)/rA:25nCCCCCCNCOCOCCCCCOCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00677 |
Area: | 516.035 |
Solvation: | -4.8941 |
Coulombic: | -59.2034 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.36 |
LogP (Chemaxon): | -0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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