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Chemical ID: 3871928

CC(C)CCNC(=O)C(C)N(Cc1ccc(cc1)F)C(=O)c2ccc(o2)CN3CCOCC3

Chemical ID:

3871928

Name [?]:

N-[(4-fluorophenyl)methyl]-N-[1-(isopentylcarbamoyl)ethyl]-5-(morpholinomethyl)furan-2-carboxamide

SMILES [?]:

CC(C)CCNC(=O)C(C)N(Cc1ccc(cc1)F)C(=O)c2ccc(o2)CN3CCOCC3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,3,10,14,18,15,17,24,23,4,5,29,33,30,32,12,27,2,9,13,16,25,22,7,20,19,6,28,11,8,21,31,26/E:(1,2)(4,5)(6,7)(12,13)(14,15)/rA:33cCCCCCNCOCCNCCCCCCCFCOCCCCOCNCCOCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;d20;s20;d22;s23;d24;s22s25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄FN₃O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9199
Area:	695.476
Solvation:	-5.467
Coulombic:	-66.3452

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	459.554
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.06
LogP (Chemaxon):	2.36

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

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Chemical Mix	Source	External ID	Descriptor	Value