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Chemical ID: 7033889

CCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCC

Chemical ID:

7033889

Name [?]:

5-(4-butoxy-3-ethoxy-phenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one

SMILES [?]:

CCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCC

InChi [?]:

InChI=1/C29H37NO7/c1-5-8-18-37-23-15-12-21(19-24(23)36-7-3)26-25(28(32)29(33)30(26)16-9-17-34-4)27(31)20-10-13-22(14-11-20)35-6-2/h10-15,19,26,32H,5-9,16-18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,37,14,25,2,36,13,3,22,30,34,8,31,33,7,21,23,4,10,29,9,32,6,11,16,15,27,17,18,20,28,26,19,24,35,12,5/E:(10,11)(13,14)/rA:37cCCCCOCCCCCCOCCCCCCONCCCOCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s17;s16;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₇NO₇
All Atoms:	74
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6832
Area:	821.446
Solvation:	-9.85297
Coulombic:	-72.1734

Bond Count [?]

All:	39
Single:	30
Double:	9
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	511.607
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.04
LogP (Chemaxon):	3.25

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