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Chemical ID: 7060641

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

Chemical ID:

7060641

Name [?]:

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

SMILES [?]:

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C27H27N3O5/c1-3-4-14-35-21-8-7-20(15-22(21)34-2)24-23(25(31)19-9-12-28-13-10-19)26(32)27(33)30(24)17-18-6-5-11-29-16-18/h5-13,15-16,24,32H,3-4,14,17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,2,3,23,22,8,7,31,35,24,32,34,4,10,26,20,21,30,9,6,11,15,14,28,16,17,33,25,19,29,27,18,12,5/E:(9,10)(12,13)/rA:35cCCCCOCCCCCCOCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;d22;s23;d24;d21s25;s16;s15;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇N₃O₅
All Atoms:	62
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	9.38838
Area:	722.801
Solvation:	-8.68163
Coulombic:	-64.9905

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.32
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

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