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Chemical ID: 5973471
Chemical ID:
5973471
Name [?]:
N-(2-furylmethyl)-5-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCc4ccco4
InChi [?]:
InChI=1/C19H16N2O5/c22-18-12-25-16-6-2-1-5-15(16)21(18)11-14-7-8-17(26-14)19(23)20-10-13-4-3-9-24-13/h1-9H,10-12H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,6,3,14,15,25,21,12,10,22,13,5,4,16,8,18,20,7,9,19,26,11,17/rA:26nCCCCCCNCOCOCCCCCOCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14531 |
Area: | 563.212 |
Solvation: | -4.93498 |
Coulombic: | -62.3471 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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