Chemical ID: 5159196

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3ccc(cc3)OC
Chemical ID:
5159196
Name [?]:
1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H23FN2O4/c1-24(2)12-13-25-19(14-6-10-17(29-3)11-7-14)18(21(27)22(25)28)20(26)15-4-8-16(23)9-5-15/h4-11,19,27H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,16,20,23,27,17,19,24,26,4,5,22,15,18,25,8,7,13,9,10,21,2,6,14,12,11,28/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29cCNCCCNCCCCOOCOCCCCCCFCCCCCCOC/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;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23FN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.35929
Area:597.602
Solvation:-6.58076
Coulombic:-58.5478
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.427
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.13
LogP (Chemaxon):-0.46

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Descriptor Annotations

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