Chemical ID: 7460945

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3cc(c(c(c3)OC)OC)OC)O
Chemical ID:
7460945
Name [?]:
4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3cc(c(c(c3)OC)OC)OC)O
InChi [?]:
InChI=1/C27H33NO8/c1-6-13-36-19-10-8-17(9-11-19)24(29)22-23(28(12-7-14-32-2)27(31)25(22)30)18-15-20(33-3)26(35-5)21(16-18)34-4/h8-11,15-16,23,29H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,31,35,33,2,20,7,9,6,10,19,3,21,29,25,8,24,5,28,26,12,13,11,17,27,15,14,36,18,16,22,30,34,32,4/E:(3,4)(8,9)(10,11)(15,16)(20,21)(33,34)/rA:36cCCCOCCCCCCCCCNCOCOCCCOCCCCCCCOCOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33NO8
All Atoms:69
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:6.64422
Area:703.691
Solvation:-10.9481
Coulombic:-79.312
Bond Count [?]
All:38
Single:29
Double:9
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:499.553
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.76
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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