Chemical ID: 7459472

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)N(C)C)O
Chemical ID:
7459472
Name [?]:
5-(4-dimethylaminophenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)N(C)C)O
InChi [?]:
InChI=1/C24H28N2O4/c1-16-6-8-18(9-7-16)22(27)20-21(17-10-12-19(13-11-17)25(2)3)26(14-5-15-30-4)24(29)23(20)28/h6-13,21,27H,5,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,20,17,3,7,4,6,22,26,23,25,16,18,2,21,5,24,9,10,8,14,12,27,11,30,15,13,19/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCNCOCOCCCOCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s19;s10;s21;d22;s23;d24;d21s25;s24;s27;s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O4
All Atoms:58
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.89191
Area:622.423
Solvation:-5.66866
Coulombic:-58.3042
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:408.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):2.09

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Descriptor Annotations

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