Chemical ID: 4420061

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3cc(ccc3OC)OC
Chemical ID:
4420061
Name [?]:
4-(4-allyloxybenzoyl)-5-(2,5-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C26H30N2O6/c1-6-15-34-18-9-7-17(8-10-18)24(29)22-23(20-16-19(32-4)11-12-21(20)33-5)28(14-13-27(2)3)26(31)25(22)30/h6-12,16,23,30H,1,13-15H2,2-5H3
InChi Info:
AuxInfo=1/0/N:24,1,3,34,32,23,16,20,17,19,28,29,4,5,22,26,15,18,27,25,30,8,7,13,9,10,2,6,14,12,11,33,31,21/E:(2,3)(7,8)(9,10)/rA:34cCNCCCNCCCCOOCOCCCCCCOCCCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s7;s25;d26;s27;d28;d25s29;s30;s31;s27;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.61925
Area:695.256
Solvation:-7.76215
Coulombic:-70.1194
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:466.526
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.41
LogP (Chemaxon):-0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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