Chemical ID: 7328627

CCn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(cc3)C(=O)N
Chemical ID:
7328627
Name [?]:
N-(4-carbamoylphenyl)-3-ethyl-4-oxo-phthalazine-1-carboxamide
SMILES [?]:
CCn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(cc3)C(=O)N
InChi [?]:
InChI=1/C18H16N4O3/c1-2-22-18(25)14-6-4-3-5-13(14)15(21-22)17(24)20-12-9-7-11(8-10-12)16(19)23/h3-10H,2H2,1H3,(H2,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,7,19,21,18,22,20,17,11,6,12,23,14,4,25,16,13,3,24,15,5/E:(7,8)(9,10)/rA:25nCCNCOCCCCCCCNCONCCCCCCCON/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s3d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O3
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3817
Area:535.273
Solvation:-3.00014
Coulombic:-65.4014
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.345
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.07
LogP (Chemaxon):1.26

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