Chemical ID: 6614255

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)OCc4ccccc4
Chemical ID:
6614255
Name [?]:
4-benzoyl-5-(4-benzyloxy-3-methoxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C29H29NO6/c1-34-17-9-16-30-26(25(28(32)29(30)33)27(31)21-12-7-4-8-13-21)22-14-15-23(24(18-22)35-2)36-19-20-10-5-3-6-11-20/h3-8,10-15,18,26,32H,9,16-17,19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,34,18,33,35,17,19,4,32,36,16,20,22,23,5,3,26,30,31,15,21,24,25,8,7,13,9,10,6,14,12,11,2,27,29/E:(5,6)(7,8)(10,11)(12,13)/rA:36cCOCCCNCCCCOOCOCCCCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s7;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29NO6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:9.47797
Area:750.05
Solvation:-9.27328
Coulombic:-66.537
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:4.64
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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