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Chemical ID: 7060673
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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