Chemical ID: 7018827

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCCOC)O)C
Chemical ID:
7018827
Name [?]:
4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCCOC)O)C
InChi [?]:
InChI=1/C29H37NO6/c1-18(2)12-15-36-23-11-10-21(17-24(23)35-6)26-25(27(31)22-16-19(3)8-9-20(22)4)28(32)29(33)30(26)13-7-14-34-5/h8-11,16-18,26,32H,7,12-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:28,29,1,36,34,23,31,3,4,17,18,26,30,32,25,7,21,27,2,5,16,6,19,20,10,15,8,11,12,14,9,35,13,33,22,24/E:(1,2)/rA:36cCCCCCCCCOCCCONCCCCCCCOCOCCCCCCCCOCOC/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;s27;s27;s14;s30;s31;s32;s33;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H37NO6
All Atoms:73
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.1865
Area:768.165
Solvation:-8.01762
Coulombic:-66.3671
Bond Count [?]
All:38
Single:29
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:495.607
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.66
LogP (Chemaxon):4.08

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Descriptor Annotations

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