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Chemical ID: 6014833

CCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C)C(=O)c4cccc(c4)F

Chemical ID:

6014833

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-fluoro-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C)C(=O)c4cccc(c4)F

InChi [?]:

InChI=1/C26H27FN2O5/c1-3-11-28(26(31)20-5-4-6-21(27)13-20)16-25(30)29(15-22-9-7-18(2)34-22)14-19-8-10-23-24(12-19)33-17-32-23/h4-10,12-13H,3,11,14-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,30,29,31,22,11,21,12,3,15,33,9,19,5,17,23,10,28,32,20,13,14,6,26,34,4,8,7,27,18,16,24/rA:34nCCCNCCONCCCCCCCOCOCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s23;s4;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇FN₂O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2764
Area:	666.59
Solvation:	-6.38832
Coulombic:	-61.1636

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.501
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.94
LogP (Chemaxon):	3.51

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