Chemical ID: 5277579

Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4ccccc4Cl
Chemical ID:
5277579
Name [?]:
None
SMILES [?]:
Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4ccccc4Cl
InChi [?]:
InChI=1/C20H16ClN5O2/c1-25-17(22)13(19(27)23-11-12-6-2-3-7-15(12)21)10-14-18(25)24-16-8-4-5-9-26(16)20(14)28/h2-10,22H,11H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,24,25,12,13,23,26,11,14,6,21,22,5,7,27,10,3,8,18,16,28,4,20,9,2,15,19,17/rA:28nCNCNCCCCNCCCCCNCOCONCCCCCCCCl/rB:s1;s2;w3;s3;d5;s6;s2d7;s8;d9;s10;d11;s12;d13;s10s14;s7s15;d16;s5;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16ClN5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7442
Area:586.115
Solvation:-2.90871
Coulombic:-63.4812
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:393.826
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.21
LogP (Chemaxon):3.41

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