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Chemical ID: 6649966

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)C(C)C

Chemical ID:

6649966

Name [?]:

[4-[[2-(4-isopropylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)C(C)C

InChi [?]:

InChI=1/C26H26N2O4/c1-18(2)21-10-14-23(15-11-21)31-17-25(29)28-27-16-20-6-12-24(13-7-20)32-26(30)22-8-4-19(3)5-9-22/h4-16,18H,17H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:31,32,1,3,7,13,15,4,6,26,28,12,16,25,29,17,22,30,2,14,27,5,24,11,20,8,18,19,21,9,23,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6465
Area:	714.508
Solvation:	-6.21617
Coulombic:	-47.5495

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	430.496
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.02
LogP (Chemaxon):	5.91

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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