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Chemical ID: 7015492

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O

Chemical ID:

7015492

Name [?]:

4-(3-butoxybenzoyl)-5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one

SMILES [?]:

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O

InChi [?]:

InChI=1/C25H28Cl2N2O4/c1-4-5-13-33-18-8-6-7-17(14-18)23(30)21-22(16-9-10-19(26)20(27)15-16)29(12-11-28(2)3)25(32)24(21)31/h6-10,14-15,22,31H,4-5,11-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,32,2,3,8,9,7,21,22,29,28,4,11,25,20,10,6,23,24,14,19,12,15,16,27,26,30,18,13,33,17,5/E:(2,3)/rA:33cCCCCOCCCCCCCOCCCONCCCCCCCClClCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s24;s23;s18;s28;s29;s30;s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈Cl₂N₂O₄
All Atoms:	61
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2837
Area:	753.044
Solvation:	-5.54236
Coulombic:	-56.8752

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	491.406
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.56
LogP (Chemaxon):	1.6

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