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Chemical ID: 6014970

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)c3ccc(cc3)[N+](=O)[O-]

Chemical ID:

6014970

Name [?]:

N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-nitro-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)c3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C25H26FN3O5/c1-3-14-27(25(31)20-7-11-22(12-8-20)29(32)33)17-24(30)28(16-23-13-4-18(2)34-23)15-19-5-9-21(26)10-6-19/h4-13H,3,14-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,20,11,15,27,31,12,14,28,30,19,3,9,17,5,21,10,26,13,29,18,6,24,16,4,8,32,7,25,33,34,22/E:(5,6)(7,8)(9,10)(11,12)(32,33)/CRV:29.5/rA:34nCCCNCCONCCCCCCCFCCCCCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s21;s4;d24;s24;s26;d27;s28;d29;d26s30;s29;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆FN₃O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	6.09523
Area:	668.418
Solvation:	-10.6152
Coulombic:	-56.3949

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	467.49
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.95
LogP (Chemaxon):	3.78

Name Annotations

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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