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Chemical ID: 6016473

CCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3

Chemical ID:

6016473

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(2-morpholinoethyl)pentanamide

SMILES [?]:

CCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3

InChi [?]:

InChI=1/C25H34FN3O4/c1-2-3-6-24(30)28(12-11-27-13-16-32-17-14-27)20-25(31)29(19-23-5-4-15-33-23)18-21-7-9-22(26)10-8-21/h4-5,7-10,15H,2-3,6,11-14,16-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,31,30,4,22,26,23,25,9,8,11,15,32,12,14,20,28,16,21,24,29,5,17,27,10,7,19,6,18,13,33/E:(7,8)(9,10)(13,14)(16,17)/rA:33nCCCCCONCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;s19;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄FN₃O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8856
Area:	707.416
Solvation:	-6.79983
Coulombic:	-56.435

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	459.554
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.29
LogP (Chemaxon):	2.33

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