Chemical ID: 6744064

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)OC)O
Chemical ID:
6744064
Name [?]:
4-[hydroxy-(p-tolyl)methylene]-5-(4-methoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)OC)O
InChi [?]:
InChI=1/C25H22N2O4/c1-16-5-7-19(8-6-16)23(28)21-22(18-9-11-20(31-2)12-10-18)27(25(30)24(21)29)15-17-4-3-13-26-14-17/h3-14,22,28H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,19,18,3,7,4,6,24,28,25,27,20,22,16,2,17,23,5,26,9,10,8,14,12,21,11,31,15,13,29/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCCCCCCCCNCOCOCCCCCNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;d18;s19;d20;d17s21;s10;s23;d24;s25;d26;d23s27;s26;s29;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:53
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.46418
Area:609.582
Solvation:-5.77537
Coulombic:-56.4128
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):2.1

Name Annotations

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Descriptor Annotations

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