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Chemical ID: 6011344

c1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C4CC4)C(=O)c5ccc(c(c5)Cl)Cl

Chemical ID:

6011344

Name [?]:

N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-3,4-dichloro-N-cyclopropyl-benzamide

SMILES [?]:

c1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C4CC4)C(=O)c5ccc(c(c5)Cl)Cl

InChi [?]:

InChI=1/C29H27Cl2N3O2/c30-25-13-10-21(16-26(25)31)29(36)34(23-11-12-23)19-28(35)33(18-20-6-2-1-3-7-20)15-14-22-17-32-27-9-5-4-8-24(22)27/h1-10,13,16-17,23,32H,11-12,14-15,18-19H2

InChi Info:

AuxInfo=1/0/N:1,2,6,17,18,3,5,16,19,30,25,26,31,10,9,34,12,7,22,4,29,11,24,15,32,33,14,20,27,36,35,13,8,23,21,28/E:(2,3)(6,7)(11,12)/rA:36nCCCCCCCNCCCCNCCCCCCCOCNCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;d20;s20;s22;s23;s24;s24s25;s23;d27;s27;s29;d30;s31;d32;d29s33;s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₇Cl₂N₃O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.1695
Area:	743.326
Solvation:	-4.41362
Coulombic:	-47.1448

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	520.449
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.32
LogP (Chemaxon):	6.0

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