Chemical ID: 7456267

CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
Chemical ID:
7456267
Name [?]:
4-[hydroxy-(4-isobutoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-phenyl-pyrrolidine-2,3-dione
SMILES [?]:
CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
InChi [?]:
InChI=1/C25H29NO5/c1-17(2)16-31-20-12-10-19(11-13-20)23(27)21-22(18-8-5-4-6-9-18)26(14-7-15-30-3)25(29)24(21)28/h4-6,8-13,17,22,27H,7,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,24,28,27,29,21,26,30,8,10,7,11,20,22,4,2,25,9,6,13,14,12,18,16,15,31,19,17,23,5/E:(1,2)(5,6)(8,9)(10,11)(12,13)/rA:31cCCCCOCCCCCCCCCNCOCOCCCOCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;d16;s13s16;d18;s15;s20;s21;s22;s23;s14;s25;d26;s27;d28;d25s29;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO5
All Atoms:60
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.1275
Area:649.044
Solvation:-6.09864
Coulombic:-60.6919
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:423.501
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.72
LogP (Chemaxon):2.62

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Descriptor Annotations

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