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Chemical ID: 6733983
Chemical ID:
6733983
Name [?]:
N-benzyl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2c3ccccc3c(=O)[nH]n2
InChi [?]:
InChI=1/C17H15N3O2/c1-20(11-12-7-3-2-4-8-12)17(22)15-13-9-5-6-10-14(13)16(21)19-18-15/h2-10H,11H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,15,16,5,9,14,17,3,4,13,18,12,19,10,22,21,2,20,11/E:(3,4)(7,8)/rA:22nCNCCCCCCCCOCCCCCCCCONN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;d12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3596 |
Area: | 462.299 |
Solvation: | -2.19788 |
Coulombic: | -41.5576 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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