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Chemical ID: 5858539

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccccc2OCc3ccc(c(c3)Cl)Cl

Chemical ID:

5858539

Name [?]:

N-[1-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccccc2OCc3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C27H27Cl2N3O3/c1-17(2)25(31-26(33)20-11-8-18(3)9-12-20)27(34)32-30-15-21-6-4-5-7-24(21)35-16-19-10-13-22(28)23(29)14-19/h4-15,17,25H,16H2,1-3H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:13,14,1,22,23,21,24,3,7,29,4,6,30,33,19,27,12,2,28,5,20,31,32,25,11,8,15,35,34,18,10,17,9,16,26/E:(1,2)(8,9)(11,12)/rA:35cCCCCCCCCONCCCCCONNCCCCCCCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s26;s27;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇Cl₂N₃O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5865
Area:	782.361
Solvation:	-4.97249
Coulombic:	-52.6941

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	512.427
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	7.65
LogP (Chemaxon):	6.6

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