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Chemical ID: 6650177

C=CCc1ccccc1OCC(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

Chemical ID:

6650177

Name [?]:

[4-[[2-(2-allylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

C=CCc1ccccc1OCC(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C27H24N2O4/c1-2-8-23-11-6-7-12-25(23)32-20-26(30)29-28-19-22-13-16-24(17-14-22)33-27(31)18-15-21-9-4-3-5-10-21/h2-7,9-19H,1,8,20H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,31,30,32,6,7,3,29,33,5,8,18,22,27,19,21,26,16,11,28,17,4,20,9,12,24,15,14,13,25,10,23/E:(4,5)(9,10)(13,14)(16,17)/rA:33nCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s24;w26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1116
Area:	712.342
Solvation:	-6.6969
Coulombic:	-48.3905

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	12
Chiral:	2
Rigid Segments:	9

Chemical Properties

Molecular Weight:	440.491
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.53
LogP (Chemaxon):	5.88

Name Annotations

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

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