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Chemical ID: 6018118

Cc1cccc(c1)C(CC(=O)NC2CCCCC2)c3cn(c4c3cccc4)Cc5ccc(cc5)F

Chemical ID:

6018118

Name [?]:

N-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(m-tolyl)propanamide

SMILES [?]:

Cc1cccc(c1)C(CC(=O)NC2CCCCC2)c3cn(c4c3cccc4)Cc5ccc(cc5)F

InChi [?]:

InChI=1/C31H33FN2O/c1-22-8-7-9-24(18-22)28(19-31(35)33-26-10-3-2-4-11-26)29-21-34(30-13-6-5-12-27(29)30)20-23-14-16-25(32)17-15-23/h5-9,12-18,21,26,28H,2-4,10-11,19-20H2,1H3,(H,33,35)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,25,26,4,3,5,14,18,24,27,30,34,31,33,7,9,28,20,2,29,6,32,13,23,8,19,22,10,35,12,21,11/E:(3,4)(10,11)(14,15)(16,17)/rA:35cCCCCCCCCCCONCCCCCCCCNCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s8;d19;s20;s21;s19s22;d23;s24;d25;d22s26;s21;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₃FN₂O
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7939
Area:	714.053
Solvation:	-4.05747
Coulombic:	-33.5566

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	468.605
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.41
LogP (Chemaxon):	7.62

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