Chemical ID: 6571613

c1ccn2cc(nc2c1)C(=O)NCCN3CCOCC3
Chemical ID:
6571613
Name [?]:
N-(2-morpholinoethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxamide
SMILES [?]:
c1ccn2cc(nc2c1)C(=O)NCCN3CCOCC3
InChi [?]:
InChI=1/C14H18N4O2/c19-14(15-4-6-17-7-9-20-10-8-17)12-11-18-5-2-1-3-13(18)16-12/h1-3,5,11H,4,6-10H2,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,2,9,13,3,14,16,20,17,19,5,6,8,10,12,7,15,4,11,18/E:(7,8)(9,10)/rA:20nCCCNCCNCCCONCCNCCOCC/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;d10;s10;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.39228
Area:480.069
Solvation:-3.60944
Coulombic:-46.7026
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.318
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.14
LogP (Chemaxon):0.27

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