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Chemical ID: 7215510

COc1ccc(cc1COc2ccccc2Cl)C(=O)NNC3=C4CCCCC4[NH2+]CC3

Chemical ID:

7215510

Name [?]:

N'-(3,5,6,7,8,8a-hexahydro-2H-quinolin-4-yl)-3-[(2-chlorophenoxy)methyl]-4-methoxy-benzohydrazide

SMILES [?]:

COc1ccc(cc1COc2ccccc2Cl)C(=O)NNC3=C4CCCCC4[NH2+]CC3

InChi [?]:

InChI=1/C24H28ClN3O3/c1-30-22-11-10-16(14-17(22)15-31-23-9-5-3-7-19(23)25)24(29)28-27-21-12-13-26-20-8-4-2-6-18(20)21/h3,5,7,9-11,14,20,26-27H,2,4,6,8,12-13,15H2,1H3,(H,28,29)/p+1

InChi Info:

AuxInfo=1/1/N:1,25,14,26,13,24,15,27,12,5,4,31,30,7,9,6,8,23,16,28,22,3,11,18,17,29,21,20,19,2,10/rA:31cCOCCCCCCCOCCCCCCClCONNCCCCCCCN+CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s6;d18;s18;s20;s21;d22;s23;s24;s25;s26;s23s27;s28;s29;s22s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉ClN₃O₃₊
All Atoms:	60
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	-21.3518
Area:	679.773
Solvation:	-38.3461
Coulombic:	-7.06654

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.958
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	4.73
LogP (Chemaxon):	2.58

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