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Chemical ID: 5651801
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
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Experimental Annotations
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Descriptor Annotations
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