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Chemical ID: 5860820

Cc1ccc(cc1OC)C=NNC(=O)C(CC(C)C)NC(=O)c2ccc(cc2)Cl

Chemical ID:

5860820

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1OC)C=NNC(=O)C(CC(C)C)NC(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C22H26ClN3O3/c1-14(2)11-19(25-21(27)17-7-9-18(23)10-8-17)22(28)26-24-13-16-6-5-15(3)20(12-16)29-4/h5-10,12-14,19H,11H2,1-4H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:18,19,1,9,3,4,24,28,25,27,16,6,10,17,2,5,23,26,15,7,21,13,29,11,20,12,22,14,8/E:(1,2)(7,8)(9,10)/rA:29cCCCCCCCOCCNNCOCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;s17;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4873
Area:	654.84
Solvation:	-4.88369
Coulombic:	-49.8967

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	415.913
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.89
LogP (Chemaxon):	4.63

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