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Chemical ID: 7476138

CC(C)COc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

7476138

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-4-isobutoxy-benzamide

SMILES [?]:

CC(C)COc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C25H26N2O3/c1-19(2)17-29-24-14-10-22(11-15-24)25(28)27-26-16-20-8-12-23(13-9-20)30-18-21-6-4-3-5-7-21/h3-16,19H,17-18H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,28,27,29,26,30,18,22,8,10,19,21,7,11,16,4,24,2,17,25,9,20,6,12,15,14,13,5,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCOCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₃
All Atoms:	56
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4539
Area:	697.927
Solvation:	-5.99423
Coulombic:	-37.082

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.486
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.61
LogP (Chemaxon):	5.73

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