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Chemical ID: 6014866

CCOCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C)C(=O)c4ccco4

Chemical ID:

6014866

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)furan-2-carboxamide

SMILES [?]:

CCOCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C)C(=O)c4ccco4

InChi [?]:

InChI=1/C26H30N2O7/c1-3-31-12-5-11-27(26(30)23-6-4-13-32-23)17-25(29)28(16-21-9-7-19(2)35-21)15-20-8-10-22-24(14-20)34-18-33-22/h4,6-10,13-14H,3,5,11-12,15-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,2,33,5,32,25,14,24,15,6,4,34,18,12,22,8,20,26,13,23,16,31,17,9,29,7,11,10,30,3,35,21,19,27/rA:35nCCOCCCNCCONCCCCCCCOCOCCCCCOCCOCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s11;s22;d23;s24;d25;s23s26;s26;s7;d29;s29;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₂O₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5406
Area:	713.123
Solvation:	-7.28748
Coulombic:	-73.0106

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	482.526
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.28
LogP (Chemaxon):	1.74

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