Chemical ID: 6614884

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)F)OC)c3ccccc3
Chemical ID:
6614884
Name [?]:
1-(3-dimethylaminopropyl)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)F)OC)c3ccccc3
InChi [?]:
InChI=1/C23H25FN2O4/c1-25(2)12-7-13-26-20(15-8-5-4-6-9-15)19(22(28)23(26)29)21(27)16-10-11-18(30-3)17(24)14-16/h4-6,8-11,14,20,28H,7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,24,28,27,29,5,26,30,17,18,4,6,21,25,16,20,19,9,8,14,10,11,22,2,7,15,13,12,23/E:(1,2)(5,6)(8,9)/rA:30cCNCCCCNCCCCOOCOCCCCCCFOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s23;s8;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.71204
Area:629.2
Solvation:-7.01795
Coulombic:-58.5974
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.454
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.49
LogP (Chemaxon):-0.75

Name Annotations

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Descriptor Annotations

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