Chemical ID: 6313775

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCOCCO)O
Chemical ID:
6313775
Name [?]:
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-methylbenzoyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCOCCO)O
InChi [?]:
InChI=1/C21H22N2O5/c1-14-4-6-15(7-5-14)19(25)17-18(16-3-2-8-22-13-16)23(21(27)20(17)26)9-11-28-12-10-24/h2-8,13,18,24,26H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,3,7,4,6,19,22,26,23,25,21,2,5,16,10,15,8,11,12,20,14,27,9,28,13,24/E:(4,5)(6,7)/rA:28cCCCCCCCCOCCCONCCCCCNCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;s24;s25;s26;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.9236
Area:593.789
Solvation:-6.92114
Coulombic:-71.2549
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.41
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):0.36

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