Chemical ID: 7018855

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)CCN(C)C)O)C
Chemical ID:
7018855
Name [?]:
5-(4-allyloxyphenyl)-1-(2-dimethylaminoethyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)CCN(C)C)O)C
InChi [?]:
InChI=1/C26H30N2O4/c1-6-15-32-20-11-9-19(10-12-20)23-22(24(29)21-16-17(2)7-8-18(21)3)25(30)26(31)28(23)14-13-27(4)5/h6-12,16,23,30H,1,13-15H2,2-5H3
InChi Info:
AuxInfo=1/0/N:25,1,32,29,30,24,3,4,17,21,18,20,27,26,23,7,2,5,16,19,6,10,15,8,11,12,28,14,9,31,13,22/E:(4,5)(9,10)(11,12)/rA:32cCCCCCCCCOCCCONCCCCCCCOCCCCCNCCOC/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;s28;s28;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O4
All Atoms:62
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.9359
Area:657.25
Solvation:-5.49539
Coulombic:-57.5053
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:434.527
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):1.2

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Descriptor Annotations

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