Chemical ID: 5579595

COc1ccc(cc1)CNC(=O)c2c3ccccc3c(=O)[nH]n2
Chemical ID:
5579595
Name [?]:
N-[(4-methoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2c3ccccc3c(=O)[nH]n2
InChi [?]:
InChI=1/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-18-17(22)15-13-4-2-3-5-14(13)16(21)20-19-15/h2-9H,10H2,1H3,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,5,7,4,8,9,6,3,14,19,13,20,11,10,23,22,21,12,2/E:(6,7)(8,9)/rA:23nCOCCCCCCCNCOCCCCCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;d13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.29206
Area:512.333
Solvation:-3.51627
Coulombic:-52.0291
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.319
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.92
LogP (Chemaxon):1.68

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Descriptor Annotations

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