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Chemical ID: 7029781

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)OC

Chemical ID:

7029781

Name [?]:

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

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)OC

InChi [?]:

InChI=1/C26H30N2O6/c1-4-27(5-2)11-12-28-23(17-7-6-8-19(15-17)32-3)22(25(30)26(28)31)24(29)18-9-10-20-21(16-18)34-14-13-33-20/h6-10,15-16,23,30H,4-5,11-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,34,2,4,29,28,30,18,19,6,7,25,24,32,22,27,17,31,20,21,10,9,15,11,12,3,8,16,14,13,33,26,23/E:(1,2)(4,5)/rA:34cCCNCCCCNCCCCOOCOCCCCCCOCCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s9;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₂O₆
All Atoms:	64
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7419
Area:	714.784
Solvation:	-7.12769
Coulombic:	-70.8488

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.526
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.43
LogP (Chemaxon):	-0.64

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