Chemical ID: 7444357

CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccncc3)O
Chemical ID:
7444357
Name [?]:
4-[hydroxy-(4-isobutoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccncc3)O
InChi [?]:
InChI=1/C24H28N2O5/c1-16(2)15-31-19-7-5-18(6-8-19)22(27)20-21(17-9-11-25-12-10-17)26(13-4-14-30-3)24(29)23(20)28/h5-12,16,21,27H,4,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,24,21,8,10,7,11,26,30,27,29,20,22,4,2,25,9,6,13,14,12,18,16,28,15,31,19,17,23,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:31cCCCCOCCCCCCCCCNCOCOCCCOCCCCNCCO/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:C24H28N2O5
All Atoms:59
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.31491
Area:647.601
Solvation:-6.87511
Coulombic:-63.0478
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:424.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.46
LogP (Chemaxon):0.91

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Descriptor Annotations

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