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Chemical ID: 5973267
Chemical ID:
5973267
Name [?]:
5-[(4-morpholinocarbonylphenyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H20N2O4/c23-19-14-26-18-4-2-1-3-17(18)22(19)13-15-5-7-16(8-6-15)20(24)21-9-11-25-12-10-21/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,22,26,23,25,12,10,13,16,5,4,8,19,21,7,9,20,24,11/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCNCOCOCCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49185 |
Area: | 539.676 |
Solvation: | -5.00005 |
Coulombic: | -51.1898 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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