Chemical ID: 7015730

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCN4CCOCC4)O
Chemical ID:
7015730
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C26H30N2O6/c1-3-34-21-9-5-7-19(17-21)24(29)22-23(18-6-4-8-20(16-18)32-2)28(26(31)25(22)30)11-10-27-12-14-33-15-13-27/h4-9,16-17,23,30H,3,10-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,20,6,19,7,21,5,27,26,29,33,30,32,23,9,18,8,22,4,12,17,10,13,14,28,16,11,34,15,24,31,3/E:(12,13)(14,15)/rA:34cCCOCCCCCCCOCCCONCCCCCCCOCCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s16;s26;s27;s28;s29;s30;s31;s28s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O6
All Atoms:64
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.84117
Area:717.331
Solvation:-8.09212
Coulombic:-70.052
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:466.526
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.9
LogP (Chemaxon):0.36

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Descriptor Annotations

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