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Chemical ID: 7412054

Cc1ccc2c(c1)cc(c(n2)O)CN(Cc3ccco3)C(=O)c4ccc(c(c4)OC)OC

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value