Chemical ID: 7060673

COc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3Cc4cccnc4)O)C(=O)c5ccncc5
Chemical ID:
7060673
Name [?]:
5-(4-benzyloxy-3-methoxy-phenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3Cc4cccnc4)O)C(=O)c5ccncc5
InChi [?]:
InChI=1/C30H25N3O5/c1-37-25-16-23(9-10-24(25)38-19-20-6-3-2-4-7-20)27-26(28(34)22-11-14-31-15-12-22)29(35)30(36)33(27)18-21-8-5-13-32-17-21/h2-17,27,35H,18-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,26,12,16,25,6,7,34,38,27,35,37,4,29,23,10,11,24,33,5,8,3,18,17,31,19,20,36,28,22,32,30,21,2,9/E:(3,4)(6,7)(11,12)(14,15)/rA:38cCOCCCCCCOCCCCCCCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s17;d18;s19;d20;s17s20;s22;s23;s24;d25;s26;d27;d24s28;s19;s18;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H25N3O5
All Atoms:63
Heavy Atoms:38
Chiral Atoms:None
ZAP Information [?]
Total:9.76128
Area:757.664
Solvation:-9.18031
Coulombic:-66.0369
Bond Count [?]
All:42
Single:27
Double:15
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.68
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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