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Chemical ID: 6632905

C=CCc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

Chemical ID:

6632905

Name [?]:

N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-N'-[2-(cyclohexylcarbamoyl)phenyl]-oxamide

SMILES [?]:

C=CCc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C25H28N4O4/c1-2-9-17-10-8-11-18(22(17)30)16-26-29-25(33)24(32)28-21-15-7-6-14-20(21)23(31)27-19-12-4-3-5-13-19/h2,6-8,10-11,14-16,19,30H,1,3-5,9,12-13H2,(H,27,31)(H,28,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,31,30,32,22,21,6,3,5,7,29,33,23,20,11,4,8,28,24,19,9,25,16,14,12,27,18,13,10,26,17,15/E:(4,5)(12,13)/rA:33nCCCCCCCCCOCNNCOCONCCCCCCCONCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3863
Area:	706.6
Solvation:	-4.27868
Coulombic:	-85.0714

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	448.514
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	5.36
LogP (Chemaxon):	4.87

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

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

Chemical Mix	Source	External ID	Descriptor	Value