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Chemical ID: 3900740
Chemical ID:
3900740
Name [?]:
N-benzyl-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILES [?]:
CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3ccccc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C24H22N2O3/c1-2-17-10-11-21-19(13-17)14-20(23(27)25-21)16-26(15-18-7-4-3-5-8-18)24(28)22-9-6-12-29-22/h3-14H,2,15-16H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,27,18,22,26,4,5,28,8,9,16,14,3,17,7,10,6,25,11,23,13,15,12,24,29/E:(4,5)(7,8)/rA:29nCCCCCCCCCCCONCNCCCCCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s6s11;s10;s14;s15;s16;s17;d18;s19;d20;d17s21;s15;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7816 |
Area: | 588.789 |
Solvation: | -2.93814 |
Coulombic: | -50.4676 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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