Chemical ID: 7034774

CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3CCOC)O)C(=O)c4ccccc4
Chemical ID:
7034774
Name [?]:
4-benzoyl-5-(4-benzyloxy-3-ethoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3CCOC)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C29H29NO6/c1-3-35-24-18-22(14-15-23(24)36-19-20-10-6-4-7-11-20)26-25(27(31)21-12-8-5-9-13-21)28(32)29(33)30(26)16-17-34-2/h4-15,18,26,32H,3,16-17,19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,15,34,14,16,33,35,13,17,32,36,7,8,24,25,5,11,12,31,6,9,4,19,18,29,20,21,23,30,28,22,26,3,10/E:(6,7)(8,9)(10,11)(12,13)/rA:36cCCOCCCCCCOCCCCCCCCCCCONCCOCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;d19;s20;d21;s18s21;s23;s24;s25;s26;s20;s19;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29NO6
All Atoms:65
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.4153
Area:747.688
Solvation:-8.27689
Coulombic:-67.5771
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:487.544
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.7
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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