Chemical ID: 6432389

CCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
6432389
Name [?]:
5-(3-ethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C26H30N2O6/c1-3-34-21-6-4-5-19(17-21)23-22(24(29)18-7-9-20(32-2)10-8-18)25(30)26(31)28(23)12-11-27-13-15-33-16-14-27/h4-10,17,23,30H,3,11-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,6,7,5,28,32,29,31,17,16,19,23,20,22,9,27,8,30,4,11,10,25,12,13,18,15,26,24,14,33,21,3/E:(7,8)(9,10)(13,14)(15,16)/rA:34cCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s12;s11;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.0903
Area:719.367
Solvation:-7.89383
Coulombic:-70.3254
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):0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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