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Chemical ID: 5909577
Chemical ID:
5909577
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILES [?]:
COCCCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)c3ccco3
InChi [?]:
InChI=1/C23H26N2O5/c1-28-13-7-12-24(23(27)21-11-6-15-30-21)18-22(26)25(17-20-10-5-14-29-20)16-19-8-3-2-4-9-19/h2-6,8-11,14-15H,7,12-13,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,21,28,4,13,17,20,27,5,3,22,29,11,18,7,12,19,26,8,24,6,10,9,25,2,23,30/E:(3,4)(8,9)/rA:30nCOCCCNCCONCCCCCCCCCCCCOCOCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;s6;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48292 |
Area: | 622.342 |
Solvation: | -6.07562 |
Coulombic: | -57.8704 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 410.463 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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