Chemical ID: 7023496

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3C)OC
Chemical ID:
7023496
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C28H36N2O5/c1-6-17-35-21-11-9-20(10-12-21)25-24(26(31)23-14-13-22(34-5)18-19(23)4)27(32)28(33)30(25)16-15-29(7-2)8-3/h9-14,18,25,32H,6-8,15-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,23,33,35,2,20,22,7,9,6,10,29,28,18,17,3,31,32,8,5,30,27,12,11,25,13,14,19,16,26,24,15,34,4/E:(2,3)(7,8)(9,10)(11,12)/rA:35cCCCOCCCCCCCCCCONCCNCCCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s19;s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O5
All Atoms:71
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.2845
Area:725.782
Solvation:-6.86003
Coulombic:-62.7129
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:480.596
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.95
LogP (Chemaxon):1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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