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Chemical ID: 6631095

C=CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl

Chemical ID:

6631095

Name [?]:

N-[(4-allyloxyphenyl)methyleneaminocarbamoylmethyl]-4-chloro-benzamide

SMILES [?]:

C=CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C19H18ClN3O3/c1-2-11-26-17-9-3-14(4-10-17)12-22-23-18(24)13-21-19(25)15-5-7-16(20)8-6-15/h2-10,12H,1,11,13H2,(H,21,25)(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,7,9,21,25,22,24,6,10,3,11,16,8,20,23,5,14,18,26,17,12,13,15,19,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈ClN₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4226
Area:	626.925
Solvation:	-5.25048
Coulombic:	-50.3092

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	371.817
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.32
LogP (Chemaxon):	3.17

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value