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Chemical ID: 5973492
Chemical ID:
5973492
Name [?]:
5-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]-N-(4-pyridylmethyl)furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCc4ccncc4
InChi [?]:
InChI=1/C20H17N3O4/c24-19-13-26-17-4-2-1-3-16(17)23(19)12-15-5-6-18(27-15)20(25)22-11-14-7-9-21-10-8-14/h1-10H,11-13H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,23,27,24,26,21,12,10,22,13,5,4,16,8,18,25,20,7,9,19,11,17/E:(7,8)(9,10)/rA:27nCCCCCCNCOCOCCCCCOCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9641 |
Area: | 580.544 |
Solvation: | -4.54951 |
Coulombic: | -60.2939 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.08 |
LogP (Chemaxon): | 0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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