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Chemical ID: 6050043

Cc1c(cco1)C(=O)N(CCC(=O)NCc2ccc3c(c2)OCO3)CC4CCCO4

Chemical ID:

6050043

Name [?]:

N-[2-(benzo[1,3]dioxol-5-ylmethylcarbamoyl)ethyl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)furan-3-carboxamide

SMILES [?]:

Cc1c(cco1)C(=O)N(CCC(=O)NCc2ccc3c(c2)OCO3)CC4CCCO4

InChi [?]:

InChI=1/C22H26N2O6/c1-15-18(7-10-27-15)22(26)24(13-17-3-2-9-28-17)8-6-21(25)23-12-16-4-5-19-20(11-16)30-14-29-19/h4-5,7,10-11,17H,2-3,6,8-9,12-14H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,28,27,17,18,11,4,10,29,5,21,15,25,23,2,16,26,3,19,20,12,7,14,9,13,8,6,30,24,22/rA:30cCCCCCOCONCCCONCCCCCCCOCOCCCCCO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s9;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	9.2049
Area:	655.539
Solvation:	-7.18356
Coulombic:	-66.7066

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	414.452
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	1.56
LogP (Chemaxon):	1.19

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