Chemical ID: 5175132

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
Chemical ID:
5175132
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
InChi [?]:
InChI=1/C22H24N2O5/c1-3-29-17-7-4-6-16(14-17)20(25)18-19(15-8-10-23-11-9-15)24(12-5-13-28-2)22(27)21(18)26/h4,6-11,14,19,26H,3,5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,6,25,7,5,19,23,20,22,24,26,9,18,8,4,12,17,10,13,14,21,16,11,29,15,27,3/E:(8,9)(10,11)/rA:29cCCOCCCCCCCOCCCONCCCCNCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s16;s24;s25;s26;s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.70219
Area:642.6
Solvation:-7.36282
Coulombic:-61.0005
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.436
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.45
LogP (Chemaxon):0.35

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