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Chemical ID: 5770635

Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)c3ccc(cc3)NC(=O)COc4ccc(cc4C)Cl)Cl

Chemical ID:

5770635

Name [?]:

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

SMILES [?]:

Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)c3ccc(cc3)NC(=O)COc4ccc(cc4C)Cl)Cl

InChi [?]:

InChI=1/C30H26Cl2N2O4/c1-19-15-23(31)7-13-27(19)37-17-29(35)33-25-9-3-21(4-10-25)22-5-11-26(12-6-22)34-30(36)18-38-28-14-8-24(32)16-20(28)2/h3-16H,17-18H2,1-2H3,(H,33,35)(H,34,36)

InChi Info:

AuxInfo=1/1/N:1,36,15,17,20,24,5,32,14,18,21,23,6,31,3,34,9,28,2,35,16,19,4,33,13,22,7,30,10,26,38,37,12,25,11,27,8,29/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)/rA:38nCCCCCCCOCCONCCCCCCCCCCCCNCOCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;s35;s33;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₆Cl₂N₂O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2074
Area:	839.173
Solvation:	-7.7719
Coulombic:	-57.3581

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	549.444
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.54
LogP (Chemaxon):	7.36

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