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Chemical ID: 4126736

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2C)OC)c3ccc(cc3Cl)Cl

Chemical ID:

4126736

Name [?]:

5-(2,4-dichlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2C)OC)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C25H28Cl2N2O4/c1-5-28(6-2)11-12-29-22(19-9-7-16(26)14-20(19)27)21(24(31)25(29)32)23(30)18-10-8-17(33-4)13-15(18)3/h7-10,13-14,22,31H,5-6,11-12H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,23,25,2,4,28,19,27,18,6,7,21,30,22,29,20,17,26,31,10,9,15,11,12,33,32,3,8,16,14,13,24/E:(1,2)(5,6)/rA:33cCCNCCCCNCCCCOOCOCCCCCCCOCCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s22;s20;s24;s9;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈Cl₂N₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8429
Area:	650.66
Solvation:	-5.42364
Coulombic:	-55.8917

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	491.406
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.49
LogP (Chemaxon):	1.52

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