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Chemical ID: 6650162

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

Chemical ID:

6650162

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C24H20N2O3/c1-18-7-12-21(13-8-18)24(28)26-25-17-20-9-14-22(15-10-20)29-23(27)16-11-19-5-3-2-4-6-19/h2-17H,1H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,3,7,14,18,23,4,6,15,17,22,12,2,24,13,5,16,20,8,11,10,21,9,19/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:29nCCCCCCCCONNCCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1743
Area:	617.746
Solvation:	-4.26939
Coulombic:	-41.1708

Bond Count [?]

All:	31
Single:	18
Double:	13
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	384.427
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.2
LogP (Chemaxon):	5.53

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