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Chemical ID: 7029526

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(c(c4)Cl)Cl

Chemical ID:

7029526

Name [?]:

5-(3,4-dichlorophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one

SMILES [?]:

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(c(c4)Cl)Cl

InChi [?]:

InChI=1/C23H21Cl2NO6/c1-30-8-2-7-26-20(13-3-5-15(24)16(25)11-13)19(22(28)23(26)29)21(27)14-4-6-17-18(12-14)32-10-9-31-17/h3-6,11-12,20,28H,2,7-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,26,16,27,17,5,3,23,22,30,20,25,15,28,29,18,19,8,7,13,9,10,32,31,6,14,12,11,2,24,21/rA:32cCOCCCNCCCCOOCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁Cl₂NO₆
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2534
Area:	700.25
Solvation:	-7.2529
Coulombic:	-66.7311

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.321
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.23
LogP (Chemaxon):	2.46

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