Chemical ID: 5651801

CCN(CC)c1ccc(cc1)NC(=O)c2c3ccccc3c(=O)n(n2)C
Chemical ID:
5651801
Name [?]:
N-(4-diethylaminophenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide
SMILES [?]:
CCN(CC)c1ccc(cc1)NC(=O)c2c3ccccc3c(=O)n(n2)C
InChi [?]:
InChI=1/C20H22N4O2/c1-4-24(5-2)15-12-10-14(11-13-15)21-19(25)18-16-8-6-7-9-17(16)20(26)23(3)22-18/h6-13H,4-5H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,5,26,2,4,18,19,17,20,8,10,7,11,9,6,16,21,15,13,22,12,25,24,3,14,23/E:(1,2)(4,5)(10,11)(12,13)/rA:26nCCNCCCCCCCCNCOCCCCCCCCONNC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;d15s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6839
Area:565.023
Solvation:-2.44168
Coulombic:-45.7979
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):3.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue