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Chemical ID: 7449374

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3Cl)Cl)O

Chemical ID:

7449374

Name [?]:

5-(2,4-dichlorophenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3Cl)Cl)O

InChi [?]:

InChI=1/C23H23Cl2NO6/c1-2-32-16-6-3-14(4-7-16)21(28)19-20(17-8-5-15(24)13-18(17)25)26(23(30)22(19)29)9-11-31-12-10-27/h3-8,13,20,27-28H,2,9-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,6,8,26,5,9,25,18,22,19,21,28,7,27,4,24,29,11,12,10,16,14,31,30,13,23,32,17,15,20,3/E:(3,4)(6,7)/rA:32cCCOCCCCCCCCCNCOCOCCOCCOCCCCCCClClO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s29;s27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃Cl₂NO₆
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	7.92469
Area:	658.863
Solvation:	-8.54688
Coulombic:	-74.467

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	480.337
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.24
LogP (Chemaxon):	2.29

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

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Chemical Mix	Source	External ID	Descriptor	Value