Chemical ID: 4650598

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCOC)O
Chemical ID:
4650598
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCOC)O
InChi [?]:
InChI=1/C23H25NO6/c1-4-30-17-10-8-15(9-11-17)21(25)19-20(16-6-5-7-18(14-16)29-3)24(12-13-28-2)23(27)22(19)26/h5-11,14,20,26H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,25,2,20,19,21,6,8,5,9,26,27,23,7,18,4,22,12,17,10,13,14,16,11,30,15,28,24,3/E:(8,9)(10,11)/rA:30cCCOCCCCCCCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s16;s26;s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.93083
Area:640.655
Solvation:-7.08555
Coulombic:-65.5406
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.448
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.26
LogP (Chemaxon):1.9

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Descriptor Annotations

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