Chemical ID: 4857197

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)Cc5ccncc5)O
Chemical ID:
4857197
Name [?]:
3-hydroxy-5-(3-hydroxyphenyl)-4-[4-(m-tolylmethoxy)benzoyl]-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)Cc5ccncc5)O
InChi [?]:
InChI=1/C31H26N2O5/c1-20-4-2-5-22(16-20)19-38-26-10-8-23(9-11-26)29(35)27-28(24-6-3-7-25(34)17-24)33(31(37)30(27)36)18-21-12-14-32-15-13-21/h2-17,28,34,36H,18-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,26,3,5,25,27,12,14,11,15,33,37,34,36,7,29,31,8,2,32,6,13,24,28,10,18,23,16,19,20,35,22,30,17,38,21,9/E:(8,9)(10,11)(12,13)(14,15)/rA:38cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s28;s22;s31;s32;d33;s34;d35;d32s36;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.9474
Area:765.077
Solvation:-7.17949
Coulombic:-72.1501
Bond Count [?]
All:42
Single:27
Double:15
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:506.549
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.31
LogP (Chemaxon):3.81

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Descriptor Annotations

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