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Chemical ID: 7304729
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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