Chemical ID: 5164543

CN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)Cl
Chemical ID:
5164543
Name [?]:
5-(4-chlorophenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-methyl-5H-pyrrol-2-one
SMILES [?]:
CN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H18ClNO5/c1-22-17(11-4-7-13(21)8-5-11)16(19(24)20(22)25)18(23)12-6-9-14(26-2)15(10-12)27-3/h4-10,17,24H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,22,26,12,23,25,13,16,21,11,24,14,15,4,3,9,5,6,27,2,10,8,7,19,17/E:(4,5)(7,8)/rA:27cCNCCCCOOCOCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s2s5;d6;s5;s4;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s3;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClNO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.58231
Area:589.969
Solvation:-7.16692
Coulombic:-56.8594
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.813
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):2.24

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Descriptor Annotations

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