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Chemical ID: 6011428

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

Chemical ID:

6011428

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C31H34ClN3O3/c1-2-3-18-34(31(37)23-38-27-15-13-26(32)14-16-27)22-30(36)35(21-24-9-5-4-6-10-24)19-17-25-20-33-29-12-8-7-11-28(25)29/h4-16,20,33H,2-3,17-19,21-23H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,25,24,26,18,19,23,27,17,20,34,36,33,37,11,4,10,13,21,6,30,22,12,35,32,16,15,7,28,38,14,5,9,8,29,31/E:(5,6)(9,10)(13,14)(15,16)/rA:38nCCCCNCCONCCCCNCCCCCCCCCCCCCCOCOCCCCCCCl/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;s31;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₄ClN₃O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6686
Area:	834.3
Solvation:	-6.18894
Coulombic:	-54.425

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	532.073
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.19
LogP (Chemaxon):	6.07

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