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Chemical ID: 6039198

Chemical ID:

6039198

Name [?]:

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

SMILES [?]:

CCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2cnccn2

InChi [?]:

InChI=1/C18H21FN4O2/c1-2-10-23(18(25)16-13-20-8-9-21-16)11-7-17(24)22-12-14-3-5-15(19)6-4-14/h3-6,8-9,13H,2,7,10-12H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,12,16,13,15,6,23,24,3,5,10,21,11,14,20,7,18,17,22,25,9,4,8,19/E:(3,4)(5,6)/rA:25nCCCNCCCONCCCCCCCFCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s4;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₄O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0265
Area:	566.397
Solvation:	-4.13348
Coulombic:	-52.832

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	344.384
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.62
LogP (Chemaxon):	0.8

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value