Chemical ID: 7017619

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cccc(c3)O
Chemical ID:
7017619
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(3-hydroxyphenyl)-4-(3-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cccc(c3)O
InChi [?]:
InChI=1/C25H30N2O5/c1-4-26(5-2)13-8-14-27-22(17-9-6-11-19(28)15-17)21(24(30)25(27)31)23(29)18-10-7-12-20(16-18)32-3/h6-7,9-12,15-16,22,28,30H,4-5,8,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,2,4,28,20,7,27,19,29,21,6,8,31,23,26,18,30,22,11,10,16,12,13,3,9,32,17,15,14,24/E:(1,2)(4,5)/rA:32cCCNCCCCCNCCCCOOCOCCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s10;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O5
All Atoms:62
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.8934
Area:702.692
Solvation:-6.67393
Coulombic:-70.7731
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:438.516
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.76
LogP (Chemaxon):-0.53

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Descriptor Annotations

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