Chemical ID: 7018829

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCc4ccccc4)CCCOC)O)C
Chemical ID:
7018829
Name [?]:
5-(4-benzyloxy-3-methoxy-phenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCc4ccccc4)CCCOC)O)C
InChi [?]:
InChI=1/C31H33NO6/c1-20-11-12-21(2)24(17-20)29(33)27-28(32(15-8-16-36-3)31(35)30(27)34)23-13-14-25(26(18-23)37-4)38-19-22-9-6-5-7-10-22/h5-7,9-14,17-18,28,34H,8,15-16,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,38,36,23,29,28,30,33,27,31,3,4,17,18,32,34,7,21,25,2,5,26,16,6,19,20,10,15,8,11,12,14,9,37,13,35,22,24/E:(6,7)(9,10)/rA:38cCCCCCCCCOCCCONCCCCCCCOCOCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s14;s32;s33;s34;s35;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H33NO6
All Atoms:71
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:10.9926
Area:781.986
Solvation:-8.5571
Coulombic:-67.0526
Bond Count [?]
All:41
Single:29
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:515.597
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.51
LogP (Chemaxon):4.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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