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Chemical ID: 6011400

COCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)c4cccc(c4)Cl

Chemical ID:

6011400

Name [?]:

N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-3-chloro-N-(2-methoxyethyl)benzamide

SMILES [?]:

COCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)c4cccc(c4)Cl

InChi [?]:

InChI=1/C29H30ClN3O3/c1-36-17-16-33(29(35)23-10-7-11-25(30)18-23)21-28(34)32(20-22-8-3-2-4-9-22)15-14-24-19-31-27-13-6-5-12-26(24)27/h2-13,18-19,31H,14-17,20-21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,18,19,32,23,27,31,33,17,20,11,10,4,3,35,13,21,6,22,30,12,34,16,15,7,28,36,14,9,5,8,29,2/E:(3,4)(8,9)/rA:36nCOCCNCCONCCCCNCCCCCCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s5;d28;s28;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀ClN₃O₃
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2735
Area:	746.415
Solvation:	-6.38685
Coulombic:	-54.1559

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	504.02
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.96
LogP (Chemaxon):	4.92

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