Chemical ID: 7019204

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)Cc4ccncc4)O)C
Chemical ID:
7019204
Name [?]:
5-(4-allyloxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)Cc4ccncc4)O)C
InChi [?]:
InChI=1/C28H26N2O4/c1-4-15-34-22-9-7-21(8-10-22)25-24(26(31)23-16-18(2)5-6-19(23)3)27(32)28(33)30(25)17-20-11-13-29-14-12-20/h4-14,16,25,32H,1,15,17H2,2-3H3
InChi Info:
AuxInfo=1/0/N:25,1,34,24,3,4,17,21,18,20,28,32,29,31,23,7,26,2,5,27,16,19,6,10,15,8,11,12,30,14,9,33,13,22/E:(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCCCCOCCCONCCCCCCCOCCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s14;s26;s27;d28;s29;d30;d27s31;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O4
All Atoms:60
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.4612
Area:661.182
Solvation:-6.06833
Coulombic:-56.8848
Bond Count [?]
All:37
Single:24
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:454.517
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.06
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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