Chemical ID: 4654365

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3Cl)Cl)CCOC)O
Chemical ID:
4654365
Name [?]:
5-(2,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3Cl)Cl)CCOC)O
InChi [?]:
InChI=1/C22H21Cl2NO5/c1-12-10-13(4-7-17(12)30-3)20(26)18-19(15-6-5-14(23)11-16(15)24)25(8-9-29-2)22(28)21(18)27/h4-7,10-11,19,27H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,9,5,20,19,6,26,27,3,22,2,4,21,18,23,7,12,17,10,13,14,25,24,16,11,30,15,28,8/rA:30cCCCCCCCOCCOCCCONCCCCCCCClClCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s23;s21;s16;s26;s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21Cl2NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.4786
Area:645.459
Solvation:-5.65786
Coulombic:-59.234
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.311
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.39
LogP (Chemaxon):3.31

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Descriptor Annotations

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