Chemical ID: 7189647

Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
Chemical ID:
7189647
Name [?]:
4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)-5-phenyl-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
InChi [?]:
InChI=1/C26H31NO5/c1-17(2)16-32-21-12-11-20(15-18(21)3)24(28)22-23(19-9-6-5-7-10-19)27(13-8-14-31-4)26(30)25(22)29/h5-7,9-12,15,17,23,28H,8,13-14,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:11,12,1,25,29,28,30,22,27,31,5,6,21,23,3,9,10,2,26,4,7,14,15,13,19,17,16,32,20,18,24,8/E:(1,2)(6,7)(9,10)/rA:32cCCCCCCCOCCCCCCCNCOCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s4;w13;s14;s15;s16;d17;s14s17;d19;s16;s21;s22;s23;s24;s15;s26;d27;s28;d29;d26s30;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO5
All Atoms:63
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.8887
Area:682.691
Solvation:-6.17862
Coulombic:-60.5271
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:437.528
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.94
LogP (Chemaxon):3.09

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Descriptor Annotations

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