Chemical ID: 4658767

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)Cc4ccncc4)O
Chemical ID:
4658767
Name [?]:
3-hydroxy-4-(4-methylbenzoyl)-5-phenyl-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)Cc4ccncc4)O
InChi [?]:
InChI=1/C24H20N2O3/c1-16-7-9-19(10-8-16)22(27)20-21(18-5-3-2-4-6-18)26(24(29)23(20)28)15-17-11-13-25-14-12-17/h2-14,21,28H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,3,7,4,6,24,28,25,27,22,2,23,16,5,10,15,8,11,12,26,14,9,29,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCCCOCCCONCCCCCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;d24;s25;d26;d23s27;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5684
Area:599.615
Solvation:-4.42193
Coulombic:-49.3316
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.427
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):2.65

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Descriptor Annotations

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