Chemical ID: 7304729

CC(C)Cn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(c(c3)F)F
Chemical ID:
7304729
Name [?]:
N-(3,4-difluorophenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide
SMILES [?]:
CC(C)Cn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C19H17F2N3O2/c1-11(2)10-24-19(26)14-6-4-3-5-13(14)17(23-24)18(25)22-12-7-8-15(20)16(21)9-12/h3-9,11H,10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,9,20,21,24,4,2,19,13,8,22,23,14,16,6,26,25,18,15,5,17,7/E:(1,2)/rA:26nCCCCNCOCCCCCCCNCONCCCCCCFF/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s5d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F2N3O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.74522
Area:533.648
Solvation:-3.59598
Coulombic:-47.3035
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):3.76

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