Chemical ID: 7316355

Cc1ccc(cc1)CNC(=O)c2c3ccccc3c(=O)n(n2)CC(C)C
Chemical ID:
7316355
Name [?]:
3-isobutyl-4-oxo-N-(p-tolylmethyl)phthalazine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2c3ccccc3c(=O)n(n2)CC(C)C
InChi [?]:
InChI=1/C21H23N3O2/c1-14(2)13-24-21(26)18-7-5-4-6-17(18)19(23-24)20(25)22-12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,15,16,14,17,3,7,4,6,8,23,24,2,5,13,18,12,10,19,9,22,21,11,20/E:(1,2)(8,9)(10,11)/rA:26nCCCCCCCCNCOCCCCCCCCONNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;d12s21;s21;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4881
Area:578.509
Solvation:-1.97463
Coulombic:-42.3409
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):3.57

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