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Chemical ID: 4955899

CCN(CC)CCCC(c1ccc(cc1)Cl)Nc2c3ccc(cc3nc4c2cc(cc4)OC)Cl

Chemical ID:

4955899

Name [?]:

N-(6-chloro-2-methoxy-acridin-9-yl)-1-(4-chlorophenyl)-N',N'-diethyl-butane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(c1ccc(cc1)Cl)Nc2c3ccc(cc3nc4c2cc(cc4)OC)Cl

InChi [?]:

InChI=1/C28H31Cl2N3O/c1-4-33(5-2)16-6-7-25(19-8-10-20(29)11-9-19)32-28-23-14-12-21(30)17-27(23)31-26-15-13-22(34-3)18-24(26)28/h8-15,17-18,25H,4-7,16H2,1-3H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,5,33,2,4,7,8,11,15,12,14,21,30,20,31,6,23,28,10,13,22,29,19,27,9,26,24,18,16,34,25,17,3,32/E:(1,2)(4,5)(8,9)(10,11)/rA:34cCCNCCCCCCCCCCCCClNCCCCCCCNCCCCCCOCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s9;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;d28;s29;s26d30;s29;s32;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₁Cl₂N₃O
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.7998
Area:	727.45
Solvation:	-3.38643
Coulombic:	-32.6842

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	496.471
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.51
LogP (Chemaxon):	6.91

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