Chemical ID: 5680018

c1ccc(cc1)CCN2C(C(=C(c3ccccc3)O)C(=O)C2=O)c4ccc(cc4)N(=O)=O
Chemical ID:
5680018
Name [?]:
4-(hydroxy-phenyl-methylene)-5-(4-nitrophenyl)-1-phenethyl-pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(cc1)CCN2C(C(=C(c3ccccc3)O)C(=O)C2=O)c4ccc(cc4)N(=O)=O
InChi [?]:
InChI=1/C25H20N2O5/c28-23(19-9-5-2-6-10-19)21-22(18-11-13-20(14-12-18)27(31)32)26(25(30)24(21)29)16-15-17-7-3-1-4-8-17/h1-14,22,28H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,25,29,26,28,7,8,4,24,13,27,11,10,12,20,22,9,30,19,21,23,31,32/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(31,32)/CRV:27.5/rA:32cCCCCCCCCNCCCCCCCCCOCOCOCCCCCCNOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s12;s11;d20;s9s20;d22;s10;s24;d25;s26;d27;d24s28;s27;d30;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:6.09678
Area:622.829
Solvation:-9.47393
Coulombic:-58.1894
Bond Count [?]
All:35
Single:21
Double:14
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:428.437
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.31
LogP (Chemaxon):3.75

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Descriptor Annotations

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