Chemical ID: 4861714

CCCOc1cccc(c1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC
Chemical ID:
4861714
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C27H34N2O5/c1-5-17-34-22-10-8-9-20(18-22)24-23(25(30)19-11-13-21(33-4)14-12-19)26(31)27(32)29(24)16-15-28(6-2)7-3/h8-14,18,24,31H,5-7,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,23,34,2,20,22,7,8,6,28,32,29,31,18,17,3,10,27,9,30,5,12,11,25,13,14,19,16,26,24,15,33,4/E:(2,3)(6,7)(11,12)(13,14)/rA:34cCCCOCCCCCCCCCCONCCNCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s19;s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.222
Area:748.053
Solvation:-6.4793
Coulombic:-63.3186
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:466.569
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.51
LogP (Chemaxon):0.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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