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Chemical ID: 7183968
Chemical ID:
7183968
Name [?]:
5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(c(c3)Cl)Cl)O
InChi [?]:
InChI=1/C23H23Cl2NO5/c1-13-11-15(6-8-18(13)31-3)21(27)19-20(14-5-7-16(24)17(25)12-14)26(9-4-10-30-2)23(29)22(19)28/h5-8,11-12,20,27H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,9,19,24,5,25,6,18,20,3,28,2,23,4,26,27,7,11,12,10,16,14,30,29,13,31,17,15,21,8/rA:31cCCCCCCCOCCCCNCOCOCCCOCCCCCCCClClO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s12;s23;d24;s25;d26;d23s27;s27;s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23Cl2NO5 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.51039 |
Area: | 650.84 |
Solvation: | -6.76061 |
Coulombic: | -59.1137 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 464.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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