Chemical ID: 7185572

COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4cccc(c4)OCC=C)O
Chemical ID:
7185572
Name [?]:
5-(3-allyloxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4cccc(c4)OCC=C)O
InChi [?]:
InChI=1/C27H24N2O5/c1-3-14-34-22-8-4-7-20(15-22)24-23(25(30)19-9-11-21(33-2)12-10-19)26(31)27(32)29(24)17-18-6-5-13-28-16-18/h3-13,15-16,24,30H,1,14,17H2,2H3
InChi Info:
AuxInfo=1/0/N:33,1,32,26,20,19,25,27,5,7,4,8,21,31,29,23,17,18,6,24,3,28,10,11,9,15,13,22,12,34,16,14,2,30/E:(9,10)(11,12)/rA:34cCOCCCCCCCCCNCOCOCCCCCNCCCCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;d13;s10s13;d15;s12;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s28;s30;s31;d32;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24N2O5
All Atoms:58
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.42619
Area:664.053
Solvation:-7.17513
Coulombic:-64.521
Bond Count [?]
All:37
Single:24
Double:13
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:456.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.46
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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