Chemical ID: 4334404

COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccccc4
Chemical ID:
4334404
Name [?]:
4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C24H20N2O5/c1-31-19-12-17(9-10-18(19)27)21-20(22(28)16-7-3-2-4-8-16)23(29)24(30)26(21)14-15-6-5-11-25-13-15/h2-13,21,27,29H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,19,18,27,31,6,7,20,4,22,16,17,26,5,8,3,11,10,24,12,13,21,15,9,25,23,14,2/E:(3,4)(7,8)/rA:31cCOCCCCCCOCCCCONCCCCCNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.34264
Area:622.997
Solvation:-7.2323
Coulombic:-70.8893
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.426
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.17
LogP (Chemaxon):1.62

Name Annotations

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Descriptor Annotations

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