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Chemical ID: 7015851

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3ccc(c(c3)OCC)O

Chemical ID:

7015851

Name [?]:

1-(2-diethylaminoethyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3ccc(c(c3)OCC)O

InChi [?]:

InChI=1/C26H32N2O6/c1-5-27(6-2)13-14-28-23(17-11-12-20(29)21(16-17)34-7-3)22(25(31)26(28)32)24(30)18-9-8-10-19(15-18)33-4/h8-12,15-16,23,29,31H,5-7,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,33,24,2,4,32,19,18,20,26,27,6,7,22,30,25,17,21,28,29,10,9,15,11,12,3,8,34,16,14,13,23,31/E:(1,2)(5,6)/rA:34cCCNCCCCNCCCCOOCOCCCCCCOCCCCCCCOCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s9;s25;d26;s27;d28;d25s29;s29;s31;s32;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₆
All Atoms:	66
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.087
Area:	732.148
Solvation:	-8.21671
Coulombic:	-77.6207

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	468.542
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.74
LogP (Chemaxon):	-0.15

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