Chemical ID: 5683911

Cc1ccc(cc1)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2CCCOC
Chemical ID:
5683911
Name [?]:
4-(hydroxy-phenyl-methylene)-1-(3-methoxypropyl)-5-(p-tolyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C22H23NO4/c1-15-9-11-16(12-10-15)19-18(20(24)17-7-4-3-5-8-17)21(25)22(26)23(19)13-6-14-27-2/h3-5,7-12,19,24H,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,14,13,15,24,12,16,3,7,4,6,23,25,2,5,11,9,8,10,18,20,22,17,19,21,26/E:(4,5)(7,8)(9,10)(11,12)/rA:27cCCCCCCCCCCCCCCCCOCOCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;w9;s10;s11;d12;s13;d14;d11s15;s10;s9;d18;s18;d20;s8s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.49268
Area:576.431
Solvation:-4.91809
Coulombic:-53.3118
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:365.422
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):2.13

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Descriptor Annotations

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