Chemical ID: 3968504

Cn1ccc2c1cc3c(c2)N(CC3)C(=O)Nc4cccnc4
Chemical ID:
3968504
Name [?]:
None
SMILES [?]:
Cn1ccc2c1cc3c(c2)N(CC3)C(=O)Nc4cccnc4
InChi [?]:
InChI=1/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,19,18,4,13,20,3,12,7,10,22,5,8,17,6,9,14,21,16,2,11,15/rA:22nCNCCCCCCCCNCCCONCCCCNC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s9;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.92096
Area:476.767
Solvation:-2.99821
Coulombic:-39.1314
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.335
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.67
LogP (Chemaxon):2.59

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Descriptor Annotations

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