Chemical ID: 6733983

CN(Cc1ccccc1)C(=O)c2c3ccccc3c(=O)[nH]n2
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

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