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Chemical ID: 4565165

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCN(C)C)O)OC

Chemical ID:

4565165

Name [?]:

1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCN(C)C)O)OC

InChi [?]:

InChI=1/C26H32N2O7/c1-15-12-17(32-4)8-9-18(15)23(29)21-22(28(11-10-27(2)3)26(31)24(21)30)16-13-19(33-5)25(35-7)20(14-16)34-6/h8-9,12-14,22,30H,10-11H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,31,32,35,23,27,25,5,6,29,28,3,21,17,2,16,4,7,20,18,10,15,8,11,19,12,30,14,9,33,13,34,22,26,24/E:(2,3)(5,6)(13,14)(19,20)(33,34)/rA:35cCCCCCCCCOCCCONCCCCCCCOCOCOCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s14;s28;s29;s30;s30;s11;s4;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	8.49366
Area:	713.25
Solvation:	-9.33759
Coulombic:	-76.138

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	484.542
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	2.75
LogP (Chemaxon):	-0.85

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