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Chemical ID: 6313775
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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