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Chemical ID: 7257631

Cc1ccc(cc1C)N2C(=O)c3ccccc3C(=CNNC(=O)C4CCCCC4)C2=O

Chemical ID:

7257631

Name [?]:

N'-[[2-(3,4-dimethylphenyl)-1,3-dioxo-4-isoquinolylidene]methyl]cyclohexanecarbohydrazide

SMILES [?]:

Cc1ccc(cc1C)N2C(=O)c3ccccc3C(=CNNC(=O)C4CCCCC4)C2=O

InChi [?]:

InChI=1/C25H27N3O3/c1-16-12-13-19(14-17(16)2)28-24(30)21-11-7-6-10-20(21)22(25(28)31)15-26-27-23(29)18-8-4-3-5-9-18/h6-7,10-15,18,26H,3-5,8-9H2,1-2H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,8,27,26,28,15,14,25,29,16,13,3,4,6,19,2,7,24,5,17,12,18,22,10,30,20,21,9,23,11,31/E:(4,5)(8,9)/rA:31nCCCCCCCCNCOCCCCCCCCNNCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;w18;s19;s20;s21;d22;s22;s24;s25;s26;s27;s24s28;s9s18;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇N₃O₃
All Atoms:	58
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7787
Area:	643.561
Solvation:	-4.31038
Coulombic:	-53.2251

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	417.5
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.62
LogP (Chemaxon):	4.14

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