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Chemical ID: 5770636

Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cc3ccc(cc3)NC(=O)COc4ccc(cc4C)Cl)Cl

Chemical ID:

5770636

Name [?]:

2-(4-chloro-2-methyl-phenoxy)-N-[4-[[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]aminophenyl]methyl]phenyl]-acetamide

SMILES [?]:

Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cc3ccc(cc3)NC(=O)COc4ccc(cc4C)Cl)Cl

InChi [?]:

InChI=1/C31H28Cl2N2O4/c1-20-15-24(32)7-13-28(20)38-18-30(36)34-26-9-3-22(4-10-26)17-23-5-11-27(12-6-23)35-31(37)19-39-29-14-8-25(33)16-21(29)2/h3-16H,17-19H2,1-2H3,(H,34,36)(H,35,37)

InChi Info:

AuxInfo=1/1/N:1,37,15,17,21,25,5,33,14,18,22,24,6,32,3,35,19,9,29,2,36,16,20,4,34,13,23,7,31,10,27,39,38,12,26,11,28,8,30/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/gE:(1,2)/rA:39nCCCCCCCOCCONCCCCCCCCCCCCCNCOCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;s29;s30;s31;d32;s33;d34;d31s35;s36;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₈Cl₂N₂O₄
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7255
Area:	865.065
Solvation:	-7.90113
Coulombic:	-57.4076

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	563.471
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.57
LogP (Chemaxon):	7.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value