Chemical ID: 5786443

CCN1CCC(=O)N(c2c1cccc2)CC
Chemical ID:
5786443
Name [?]:
2,6-diethyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-3-one
SMILES [?]:
CCN1CCC(=O)N(c2c1cccc2)CC
InChi [?]:
InChI=1/C13H18N2O/c1-3-14-10-9-13(16)15(4-2)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,12,13,11,14,5,4,10,9,6,3,8,7/rA:16cCCNCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s3s9;d10;s11;d12;d9s13;s8;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.13128
Area:384.706
Solvation:-2.48636
Coulombic:-21.9775
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.09
LogP (Chemaxon):1.98

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Descriptor Annotations

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