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Chemical ID: 7019174
Chemical ID:
7019174
Name [?]:
5-(3-chlorophenyl)-4-(2,5-dimethylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)Cc4ccco4)O)C
InChi [?]:
InChI=1/C24H20ClNO4/c1-14-8-9-15(2)19(11-14)22(27)20-21(16-5-3-6-17(25)12-16)26(24(29)23(20)28)13-18-7-4-10-30-18/h3-12,21,28H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,18,26,17,19,25,3,4,27,7,21,23,2,5,16,20,24,6,10,15,8,11,12,22,14,9,29,13,28/rA:30cCCCCCCCCOCCCONCCCCCCCClCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s14;s23;d24;s25;d26;s24s27;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO4 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.18004 |
Area: | 584.23 |
Solvation: | -5.4257 |
Coulombic: | -50.4533 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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