Chemical ID: 7446069

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3cccnc3)O
Chemical ID:
7446069
Name [?]:
4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3cccnc3)O
InChi [?]:
InChI=1/C23H26N2O5/c1-3-13-30-18-9-7-16(8-10-18)21(26)19-20(17-6-4-11-24-15-17)25(12-5-14-29-2)23(28)22(19)27/h4,6-11,15,20,26H,3,5,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,26,20,25,7,9,6,10,27,19,3,21,29,8,24,5,12,13,11,17,15,28,14,30,18,16,22,4/E:(7,8)(9,10)/rA:30cCCCOCCCCCCCCCNCOCOCCCOCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:56
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.59718
Area:625.464
Solvation:-7.03942
Coulombic:-62.6608
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:410.463
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.17
LogP (Chemaxon):0.59

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Descriptor Annotations

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