Chemical ID: 7184556

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
Chemical ID:
7184556
Name [?]:
4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)-5-phenyl-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
InChi [?]:
InChI=1/C23H25NO5/c1-15-14-17(10-11-18(15)29-3)21(25)19-20(16-8-5-4-6-9-16)24(12-7-13-28-2)23(27)22(19)26/h4-6,8-11,14,20,25H,7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,9,26,25,27,19,24,28,5,6,18,20,3,2,23,4,7,11,12,10,16,14,13,29,17,15,21,8/E:(5,6)(8,9)/rA:29cCCCCCCCOCCCCNCOCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s12;s23;d24;s25;d26;d23s27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO5
All Atoms:54
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.86196
Area:609.216
Solvation:-6.36844
Coulombic:-59.4578
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:395.448
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.86
LogP (Chemaxon):1.87

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Descriptor Annotations

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