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Chemical ID: 7412054
Chemical ID:
7412054
Name [?]:
N-(2-furylmethyl)-N-[(2-hydroxy-6-methyl-3-quinolyl)methyl]-3,4-dimethoxy-benzamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)O)CN(Cc3ccco3)C(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C25H24N2O5/c1-16-6-8-21-18(11-16)12-19(24(28)26-21)14-27(15-20-5-4-10-32-20)25(29)17-7-9-22(30-2)23(13-17)31-3/h4-13H,14-15H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,32,30,18,17,3,24,4,25,19,7,8,28,13,15,2,23,6,9,16,5,26,27,10,21,11,14,12,22,31,29,20/rA:32nCCCCCCCCCCNOCNCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;s13;s14;s15;d16;s17;d18;s16s19;s14;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55248 |
Area: | 628.404 |
Solvation: | -7.15762 |
Coulombic: | -61.0798 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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