Chemical ID: 7316161

Cc1ccc(c(c1)NC(=O)c2c3ccccc3c(=O)n(n2)CC(C)C)C
Chemical ID:
7316161
Name [?]:
N-(2,5-dimethylphenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2c3ccccc3c(=O)n(n2)CC(C)C)C
InChi [?]:
InChI=1/C21H23N3O2/c1-13(2)12-24-21(26)17-8-6-5-7-16(17)19(23-24)20(25)22-18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:24,25,1,26,14,15,13,16,3,4,7,22,23,2,5,12,17,6,11,9,18,8,21,20,10,19/E:(1,2)/rA:26nCCCCCCCNCOCCCCCCCCONNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;d11s20;s20;s22;s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.076
Area:559.04
Solvation:-1.90004
Coulombic:-41.1111
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):3.76

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