Chemical ID: 7294543

CCCCCn1c(=O)c2ccccc2c(n1)C(=O)Nc3cccc(c3)F
Chemical ID:
7294543
Name [?]:
N-(3-fluorophenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide
SMILES [?]:
CCCCCn1c(=O)c2ccccc2c(n1)C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3O2/c1-2-3-6-12-24-20(26)17-11-5-4-10-16(17)18(23-24)19(25)22-15-9-7-8-14(21)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,11,4,22,23,21,13,10,5,25,24,20,14,9,15,17,7,26,19,16,6,18,8/rA:26nCCCCCNCOCCCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s6d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4735
Area:570.179
Solvation:-2.78101
Coulombic:-44.5874
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.39
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.01

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