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Chemical ID: 7060709

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccncc4

Chemical ID:

7060709

Name [?]:

3-hydroxy-5-(4-pentoxyphenyl)-1-phenethyl-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C29H30N2O4/c1-2-3-7-20-35-24-12-10-22(11-13-24)26-25(27(32)23-14-17-30-18-15-23)28(33)29(34)31(26)19-16-21-8-5-4-6-9-21/h4-6,8-15,17-18,26,33H,2-3,7,16,19-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,24,23,25,4,22,26,9,11,8,12,31,35,20,32,34,19,5,21,10,30,7,14,13,28,15,16,33,18,29,27,17,6/E:(5,6)(8,9)(10,11)(12,13)(14,15)(17,18)/rA:35cCCCCCOCCCCCCCCCCONCCCCCCCCOCOCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀N₂O₄
All Atoms:	65
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	13.0561
Area:	759.738
Solvation:	-5.93732
Coulombic:	-56.696

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.65
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