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Chemical ID: 7394188

COc1cc(cc(c1OC)OC)C(=O)NCCc2c[nH]c3c2cc(cc3)Cl

Chemical ID:

7394188

Name [?]:

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxy-benzamide

SMILES [?]:

COc1cc(cc(c1OC)OC)C(=O)NCCc2c[nH]c3c2cc(cc3)Cl

InChi [?]:

InChI=1/C20H21ClN2O4/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-7-6-12-11-23-16-5-4-14(21)10-15(12)16/h4-5,8-11,23H,6-7H2,1-3H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,12,10,25,26,17,16,4,6,23,19,18,5,24,22,21,3,7,8,13,27,15,20,14,2,11,9/E:(1,2)(8,9)(17,18)(25,26)/rA:27nCOCCCCCCOCOCCONCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;d18;s19;s20;s18s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁ClN₂O₄
All Atoms:	48
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	8.66797
Area:	620.935
Solvation:	-6.85541
Coulombic:	-53.8948

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	388.845
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.33
LogP (Chemaxon):	3.13

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value