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Chemical ID: 7121374

COc1ccccc1C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F

Chemical ID:

7121374

Name [?]:

[4-[(4-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-(2-methoxyphenyl)-methanone

SMILES [?]:

COc1ccccc1C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C19H21FN2O2/c1-24-18-5-3-2-4-17(18)19(23)22-12-10-21(11-13-22)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,19,23,20,22,13,15,12,16,17,18,21,8,3,9,24,14,11,10,2/E:(6,7)(8,9)(10,11)(12,13)/rA:24nCOCCCCCCCONCCN+CCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂FN₂O₂₊
All Atoms:	46
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.3336
Area:	521.048
Solvation:	-35.3598
Coulombic:	2.81222

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	329.389
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.0
LogP (Chemaxon):	2.66

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

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Chemical Mix	Source	External ID	Descriptor	Value