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Chemical ID: 6011300

CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)COc4ccc(cc4)Cl

Chemical ID:

6011300

Name [?]:

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES [?]:

CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C30H32ClN3O3/c1-22(2)34(30(36)21-37-26-14-12-25(31)13-15-26)20-29(35)33(19-23-8-4-3-5-9-23)17-16-24-18-32-28-11-7-6-10-27(24)28/h3-15,18,22,32H,16-17,19-21H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,24,23,25,17,18,22,26,16,19,33,35,32,36,10,9,12,20,5,29,2,21,11,34,31,15,14,6,27,37,13,8,4,7,28,30/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:37nCCCNCCONCCCCNCCCCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s4;d27;s27;s29;s30;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₂ClN₃O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4652
Area:	783.016
Solvation:	-6.11016
Coulombic:	-53.8119

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	518.046
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.72
LogP (Chemaxon):	5.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value