Chemical ID: 5786428

CCCN1c2ccccc2N(CCC1=O)C(=O)C
Chemical ID:
5786428
Name [?]:
6-acetyl-2-propyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
CCCN1c2ccccc2N(CCC1=O)C(=O)C
InChi [?]:
InChI=1/C14H18N2O2/c1-3-9-16-13-7-5-4-6-12(13)15(11(2)17)10-8-14(16)18/h4-7H,3,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,8,7,9,6,13,3,12,16,10,5,14,11,4,17,15/rA:18nCCCNCCCCCCNCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s4s13;d14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.56034
Area:419.163
Solvation:-2.91873
Coulombic:-30.4866
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.305
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.22
LogP (Chemaxon):0.94

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