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Chemical ID: 5862139

Cc1ccc(cc1)COc2ccc(cc2OC)C=NNC(=O)C(CC(C)C)NC(=O)c3ccc(cc3)Cl

Chemical ID:

5862139

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2OC)C=NNC(=O)C(CC(C)C)NC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C29H32ClN3O4/c1-19(2)15-25(32-28(34)23-10-12-24(30)13-11-23)29(35)33-31-17-22-9-14-26(27(16-22)36-4)37-18-21-7-5-20(3)6-8-21/h5-14,16-17,19,25H,15,18H2,1-4H3,(H,32,34)(H,33,35)

InChi Info:

AuxInfo=1/1/N:26,27,1,17,3,7,4,6,12,32,36,33,35,11,24,14,18,8,25,2,5,13,31,34,23,10,15,29,21,37,19,28,20,30,22,16,9/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:37cCCCCCCCCOCCCCCCOCCNNCOCCCCCNCOCCCCCCCl/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;s25;s25;s23;s28;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₂ClN₃O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4949
Area:	802.802
Solvation:	-7.57517
Coulombic:	-57.6746

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	522.035
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	7.46
LogP (Chemaxon):	6.16

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