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Chemical ID: 5934587

Chemical ID:

5934587

Name [?]:

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-cyclobutanecarboxamide

SMILES [?]:

CCCCCN(Cc1cccn1Cc2ccc(cc2)F)C(=O)C3CCC3

InChi [?]:

InChI=1/C22H29FN2O/c1-2-3-4-14-25(22(26)19-7-5-8-19)17-21-9-6-15-24(21)16-18-10-12-20(23)13-11-18/h6,9-13,15,19H,2-5,7-8,14,16-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,4,25,10,24,26,9,15,19,16,18,5,11,13,7,14,23,17,8,21,20,12,6,22/E:(7,8)(10,11)(12,13)/rA:26nCCCCCNCCCCCNCCCCCCCFCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s6;d21;s21;s23;s24;s23s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉FN₂O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3449
Area:	592.996
Solvation:	-3.47996
Coulombic:	-27.6419

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	356.477
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.24
LogP (Chemaxon):	4.86

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