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Chemical ID: 6038760

c1cc(ccc1CNC(=O)CCN(Cc2ccc(cc2)F)C(=O)c3cnccn3)F

Chemical ID:

6038760

Name [?]:

N-[(4-fluorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]pyrazine-2-carboxamide

SMILES [?]:

c1cc(ccc1CNC(=O)CCN(Cc2ccc(cc2)F)C(=O)c3cnccn3)F

InChi [?]:

InChI=1/C22H20F2N4O2/c23-18-5-1-16(2-6-18)13-27-21(29)9-12-28(15-17-3-7-19(24)8-4-17)22(30)20-14-25-10-11-26-20/h1-8,10-11,14H,9,12-13,15H2,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,5,16,20,2,4,17,19,11,27,28,12,7,25,14,6,15,3,18,24,9,22,30,21,26,29,8,13,10,23/E:(1,2)(3,4)(5,6)(7,8)/rA:30nCCCCCCCNCOCCNCCCCCCCFCOCCNCCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s13;d22;s22;s24;d25;s26;d27;d24s28;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀F₂N₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.348
Area:	624.546
Solvation:	-5.26567
Coulombic:	-57.191

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.417
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.71
LogP (Chemaxon):	1.9

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