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Chemical ID: 4825654

CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(c(c3)C)OC

Chemical ID:

4825654

Name [?]:

1-(3-dimethylaminopropyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one

SMILES [?]:

CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(c(c3)C)OC

InChi [?]:

InChI=1/C27H34N2O6/c1-7-35-21-12-9-18(16-22(21)34-6)24-23(25(30)19-10-11-20(33-5)17(2)15-19)26(31)27(32)29(24)14-8-13-28(3)4/h9-12,15-16,24,31H,7-8,13-14H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,33,22,23,35,11,2,19,6,28,29,5,20,18,32,8,31,7,27,30,4,9,13,12,25,14,15,21,17,26,24,16,34,10,3/E:(3,4)/rA:35cCCOCCCCCCOCCCCCONCCCNCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s21;s21;s14;s13;d25;s25;s27;d28;s29;d30;d27s31;s31;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₄N₂O₆
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	9.60317
Area:	753.565
Solvation:	-9.23596
Coulombic:	-67.8107

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	482.569
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.54
LogP (Chemaxon):	-0.57

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