Chemical ID: 7183968

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(c(c3)Cl)Cl)O
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

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Descriptor Annotations

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