Chemical ID: 7034094

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC)CCN(CC)CC)O
Chemical ID:
7034094
Name [?]:
1-(2-diethylaminoethyl)-5-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC)CCN(CC)CC)O
InChi [?]:
InChI=1/C28H36N2O5/c1-5-18-35-22-14-12-20(13-15-22)26(31)24-25(21-10-9-11-23(19-21)34-8-4)30(28(33)27(24)32)17-16-29(6-2)7-3/h9-15,19,25,32H,5-8,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,34,27,2,31,33,26,21,20,22,7,9,6,10,29,28,3,24,8,19,5,23,13,18,11,14,15,30,17,12,35,16,25,4/E:(2,3)(6,7)(12,13)(14,15)/rA:35cCCCOCCCCCCCOCCCONCCCCCCCOCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s17;s28;s29;s30;s31;s30;s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O5
All Atoms:71
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.198
Area:780.426
Solvation:-6.31265
Coulombic:-63.6578
Bond Count [?]
All:37
Single:28
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:480.596
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.93
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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