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Chemical ID: 5922082

Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)c4ccc(cc4)F

Chemical ID:

5922082

Name [?]:

N-cyclohexyl-4-fluoro-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]benzamide

SMILES [?]:

Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C29H33FN2O3/c1-22-12-17-27(35-22)20-31(19-18-23-8-4-2-5-9-23)28(33)21-32(26-10-6-3-7-11-26)29(34)24-13-15-25(30)16-14-24/h2,4-5,8-9,12-17,26H,3,6-7,10-11,18-21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,24,13,15,23,25,12,16,22,26,3,30,34,31,33,4,10,9,7,19,2,11,29,32,21,5,17,27,35,8,20,18,28,6/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:35nCCCCCOCNCCCCCCCCCOCNCCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;d17;s17;s19;s20;s21;s22;s23;s24;s21s25;s20;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₃FN₂O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4584
Area:	713.71
Solvation:	-6.38439
Coulombic:	-45.0865

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	476.582
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.38
LogP (Chemaxon):	4.85

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