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Chemical ID: 7015424

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN(C)C)O

Chemical ID:

7015424

Name [?]:

5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one

SMILES [?]:

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN(C)C)O

InChi [?]:

InChI=1/C25H30N2O6/c1-6-33-18-9-7-8-17(14-18)23(28)21-22(16-10-11-19(31-4)20(15-16)32-5)27(13-12-26(2)3)25(30)24(21)29/h7-11,14-15,22,29H,6,12-13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,31,32,27,25,2,6,7,5,19,20,29,28,9,23,18,8,4,21,22,12,17,10,13,14,30,16,11,33,15,26,24,3/E:(2,3)/rA:33cCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s16;s28;s29;s30;s30;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀N₂O₆
All Atoms:	63
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	8.48855
Area:	705.529
Solvation:	-9.14966
Coulombic:	-68.0503

Bond Count [?]

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

Chemical Properties

Molecular Weight:	454.516
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.95
LogP (Chemaxon):	-0.71

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

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Chemical Mix	Source	External ID	Descriptor	Value