Chemical ID: 7015889

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OCC)c3ccc(c(c3)OCC)O
Chemical ID:
7015889
Name [?]:
1-(2-diethylaminoethyl)-4-(3-ethoxybenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OCC)c3ccc(c(c3)OCC)O
InChi [?]:
InChI=1/C27H34N2O6/c1-5-28(6-2)14-15-29-24(18-12-13-21(30)22(17-18)35-8-4)23(26(32)27(29)33)25(31)19-10-9-11-20(16-19)34-7-3/h9-13,16-17,24,30,32H,5-8,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,25,34,2,4,24,33,19,18,20,27,28,6,7,22,31,26,17,21,29,30,10,9,15,11,12,3,8,35,16,14,13,23,32/E:(1,2)(5,6)/rA:35cCCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCOCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s9;s26;d27;s28;d29;d26s30;s30;s32;s33;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O6
All Atoms:69
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.6267
Area:757.274
Solvation:-8.30514
Coulombic:-77.6777
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:482.569
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.17
LogP (Chemaxon):0.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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