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Chemical ID: 6650372

C=CCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl

Chemical ID:

6650372

Name [?]:

[4-[(4-allyloxybenzoyl)aminoiminomethyl]phenyl] 3-chlorobenzoate

SMILES [?]:

C=CCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C24H19ClN2O4/c1-2-14-30-21-12-8-18(9-13-21)23(28)27-26-16-17-6-10-22(11-7-17)31-24(29)19-4-3-5-20(25)15-19/h2-13,15-16H,1,14H2,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,27,26,28,17,21,7,9,18,20,6,10,3,30,15,16,8,25,29,5,19,11,23,31,14,13,12,24,4,22/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCOCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClN₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3871
Area:	697.165
Solvation:	-5.04204
Coulombic:	-49.912

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	434.871
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.65
LogP (Chemaxon):	5.48

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