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Chemical ID: 5909344

CC(C)N(CC(=O)N(Cc1ccco1)CC2CCCO2)C(=O)c3ccc4c(c3)OCO4

Chemical ID:

5909344

Name [?]:

N-[(2-furylmethyl-(tetrahydrofuran-2-ylmethyl)carbamoyl)methyl]-N-isopropyl-benzo[1,3]dioxole-5-carboxamide

SMILES [?]:

CC(C)N(CC(=O)N(Cc1ccco1)CC2CCCO2)C(=O)c3ccc4c(c3)OCO4

InChi [?]:

InChI=1/C23H28N2O6/c1-16(2)25(23(27)17-7-8-20-21(11-17)31-15-30-20)14-22(26)24(12-18-5-3-9-28-18)13-19-6-4-10-29-19/h3,5,7-9,11,16,19H,4,6,10,12-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,12,18,11,17,24,25,13,19,28,9,15,5,30,2,23,10,16,26,27,6,21,8,4,7,22,14,20,31,29/E:(1,2)/rA:31cCCCNCCONCCCCCOCCCCCOCOCCCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;s17;s18;s16s19;s4;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₆
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	7.60684
Area:	601.056
Solvation:	-7.41955
Coulombic:	-62.9259

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	428.478
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.28
LogP (Chemaxon):	1.76

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