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Chemical ID: 7060299

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccc(c(c3)OC)O

Chemical ID:

7060299

Name [?]:

1-(2-diethylaminoethyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccc(c(c3)OC)O

InChi [?]:

InChI=1/C23H27N3O5/c1-4-25(5-2)12-13-26-20(16-6-7-17(27)18(14-16)31-3)19(22(29)23(26)30)21(28)15-8-10-24-11-9-15/h6-11,14,20,27,29H,4-5,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,30,2,4,24,25,18,22,19,21,6,7,28,17,23,26,27,10,9,15,11,12,20,3,8,31,16,14,13,29/E:(1,2)(4,5)(8,9)(10,11)/rA:31cCCNCCCCNCCCCOOCOCCCNCCCCCCCCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s9;s23;d24;s25;d26;d23s27;s27;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₅
All Atoms:	58
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	9.10358
Area:	663.724
Solvation:	-7.48951
Coulombic:	-73.8659

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.15
LogP (Chemaxon):	None

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