Chemical ID: 4126418

CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN(C)C)O
Chemical ID:
4126418
Name [?]:
5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN(C)C)O
InChi [?]:
InChI=1/C26H32N2O6/c1-7-34-19-10-9-18(14-16(19)2)24(29)22-23(17-8-11-20(32-5)21(15-17)33-6)28(13-12-27(3)4)26(31)25(22)30/h8-11,14-15,23,30H,7,12-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,10,32,33,28,26,2,20,6,5,21,30,29,8,24,9,19,7,4,22,23,13,18,11,14,15,31,17,12,34,16,27,25,3/E:(3,4)/rA:34cCCOCCCCCCCCOCCCONCCCCCCCOCOCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s17;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.14017
Area:726.363
Solvation:-9.01891
Coulombic:-68.0852
Bond Count [?]
All:36
Single:27
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.542
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.18
LogP (Chemaxon):-0.25

Name Annotations

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Descriptor Annotations

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