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Chemical ID: 6771003

Cc1ccc(cc1)Cn2cc(c3c2cccc3)CCC(=O)NCCc4ccc(cc4)Cl

Chemical ID:

6771003

Name [?]:

N-[2-(4-chlorophenyl)ethyl]-3-[1-(p-tolylmethyl)indol-3-yl]-propanamide

SMILES [?]:

Cc1ccc(cc1)Cn2cc(c3c2cccc3)CCC(=O)NCCc4ccc(cc4)Cl

InChi [?]:

InChI=1/C27H27ClN2O/c1-20-6-8-22(9-7-20)18-30-19-23(25-4-2-3-5-26(25)30)12-15-27(31)29-17-16-21-10-13-24(28)14-11-21/h2-11,13-14,19H,12,15-18H2,1H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,14,3,7,4,6,26,30,18,27,29,19,24,23,8,10,2,25,5,11,28,12,13,20,31,22,9,21/E:(6,7)(8,9)(10,11)(13,14)/rA:31nCCCCCCCCNCCCCCCCCCCCONCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇ClN₂O
All Atoms:	58
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6127
Area:	710.717
Solvation:	-3.15523
Coulombic:	-30.0861

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.969
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.42
LogP (Chemaxon):	6.89

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