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Chemical ID: 6014785

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

Chemical ID:

6014785

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)-3,3-dimethyl-butanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C25H34N2O6/c1-18-6-8-20(33-18)15-27(14-19-7-9-21-22(12-19)32-17-31-21)24(29)16-26(10-11-30-5)23(28)13-25(2,3)4/h6-9,12H,10-11,13-17H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,31,32,33,26,3,11,4,12,23,24,15,29,9,7,21,17,2,10,5,13,14,27,19,30,22,8,28,20,25,18,16,6/E:(2,3,4)/rA:33nCCCCCOCNCCCCCCCOCOCOCNCCOCCOCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3259
Area:	699.054
Solvation:	-7.15049
Coulombic:	-62.9266

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	458.547
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.02
LogP (Chemaxon):	2.45

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