Chemical ID: 7185278

CCCOc1cccc(c1)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2Cc4cccnc4
Chemical ID:
7185278
Name [?]:
4-(hydroxy-phenyl-methylene)-5-(3-propoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2Cc4cccnc4
InChi [?]:
InChI=1/C26H24N2O4/c1-2-14-32-21-12-6-11-20(15-21)23-22(24(29)19-9-4-3-5-10-19)25(30)26(31)28(23)17-18-8-7-13-27-16-18/h3-13,15-16,23,29H,2,14,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,7,29,28,15,19,8,6,30,3,10,32,26,27,14,9,5,12,11,13,21,23,31,25,20,22,24,4/E:(4,5)(9,10)/rA:32cCCCOCCCCCCCCCCCCCCCOCOCONCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s13;s12;d21;s21;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2O4
All Atoms:56
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.77987
Area:599.606
Solvation:-5.21028
Coulombic:-57.5706
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:428.48
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):2.35

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Descriptor Annotations

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