Chemical ID: 4206770

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3ccncc3
Chemical ID:
4206770
Name [?]:
4-(4-chlorobenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3ccncc3
InChi [?]:
InChI=1/C20H20ClN3O3/c1-23(2)11-12-24-17(13-7-9-22-10-8-13)16(19(26)20(24)27)18(25)14-3-5-15(21)6-4-14/h3-10,17,26H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,20,17,19,23,27,24,26,4,5,22,15,18,8,7,13,9,10,21,25,2,6,14,12,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:27cCNCCCNCCCCOOCOCCCCCCClCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s18;s7;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.72538
Area:585.853
Solvation:-4.92094
Coulombic:-52.2487
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.844
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):-1.16

Name Annotations

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Descriptor Annotations

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