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Chemical ID: 5858437

Cc1ccc(cc1)COc2ccc(cc2OC)C=NNC(=O)C(C(C)C)NC(=O)c3ccccc3Cl

Chemical ID:

5858437

Name [?]:

2-chloro-N-[1-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2OC)C=NNC(=O)C(C(C)C)NC(=O)c3ccccc3Cl

InChi [?]:

InChI=1/C28H30ClN3O4/c1-18(2)26(31-27(33)22-7-5-6-8-23(22)29)28(34)32-30-16-21-13-14-24(25(15-21)35-4)36-17-20-11-9-19(3)10-12-20/h5-16,18,26H,17H2,1-4H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:25,26,1,17,32,33,31,34,3,7,4,6,12,11,14,18,8,24,2,5,13,30,35,10,15,23,28,21,36,19,27,20,29,22,16,9/E:(1,2)(9,10)(11,12)/rA:36cCCCCCCCCOCCCCCCOCCNNCOCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;w18;s19;s20;d21;s21;s23;s24;s24;s23;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₀ClN₃O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6522
Area:	769.376
Solvation:	-7.58218
Coulombic:	-57.2822

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	508.008
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.68
LogP (Chemaxon):	5.83

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