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Chemical ID: 6571613
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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