Chemical ID: 7019218

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)Cc4ccncc4)O)C
Chemical ID:
7019218
Name [?]:
4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)Cc4ccncc4)O)C
InChi [?]:
InChI=1/C25H22N2O4/c1-15-6-7-16(2)20(12-15)23(29)21-22(18-4-3-5-19(28)13-18)27(25(31)24(21)30)14-17-8-10-26-11-9-17/h3-13,22,28,30H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,18,17,19,3,4,25,29,26,28,7,21,23,2,5,24,16,20,6,10,15,8,11,12,27,14,22,9,30,13/E:(8,9)(10,11)/rA:31cCCCCCCCCOCCCONCCCCCCCOCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s14;s23;s24;d25;s26;d27;d24s28;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:53
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.14589
Area:588.113
Solvation:-5.55693
Coulombic:-63.685
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.12
LogP (Chemaxon):2.8

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Descriptor Annotations

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