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Chemical ID: 6474291

CCOC(=O)COc1cc(c(cc1OC)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)c5ccc(cc5)C)Cl

Chemical ID:

6474291

Name [?]:

ethyl 2-[5-chloro-4-[1,8-dioxo-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl]-2-methoxy-phenoxy]acetate

SMILES [?]:

CCOC(=O)COc1cc(c(cc1OC)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)c5ccc(cc5)C)Cl

InChi [?]:

InChI=1/C31H32ClNO6/c1-4-38-28(36)17-39-27-16-21(32)20(15-26(27)37-3)29-30-22(7-5-9-24(30)34)33(19-13-11-18(2)12-14-19)23-8-6-10-25(35)31(23)29/h11-16,29H,4-10,17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,38,15,2,20,30,19,31,21,29,34,36,33,37,12,9,6,35,32,11,10,18,25,22,27,13,8,4,16,17,26,39,24,23,28,5,14,3,7/E:(5,6)(7,8)(9,10)(11,12)(13,14)(22,23)(24,25)(30,31)(34,35)/rA:39nCCOCOCOCCCCCCOCCCCCCCCONCCCOCCCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s18;s19;s20;s17s21;d22;s18;s24;s16d25;s26;d27;s27;s29;s25s30;s24;s32;d33;s34;d35;d32s36;s35;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₂ClNO₆
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9654
Area:	753.444
Solvation:	-7.87067
Coulombic:	-53.0313

Bond Count [?]

All:	43
Single:	32
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	550.042
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.52
LogP (Chemaxon):	4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value