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Chemical ID: 5909770

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC=C)C(=O)c4ccco4

Chemical ID:

5909770

Name [?]:

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

SMILES [?]:

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC=C)C(=O)c4ccco4

InChi [?]:

InChI=1/C24H24N2O6/c1-3-10-25(24(28)21-5-4-11-29-21)15-23(27)26(14-19-8-6-17(2)32-19)13-18-7-9-20-22(12-18)31-16-30-20/h3-9,11-12H,1,10,13-16H2,2H3

InChi Info:

AuxInfo=1/0/N:25,1,24,30,29,3,11,4,12,23,31,15,9,7,21,17,2,10,5,13,28,14,19,26,22,8,20,27,32,18,16,6/rA:32nCCCCCOCNCCCCCCCOCOCOCNCCCCOCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;d24;s22;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1216
Area:	655.196
Solvation:	-6.25826
Coulombic:	-66.1897

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.457
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.31
LogP (Chemaxon):	2.25

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