8-amino-5-(2-methylphenyl)-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
8-amino-5-(2-methylphenyl)-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
8-amino-5-(2-methylphenyl)-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
Compound ID: | 8009-9005 |
Compound Name: | 8-amino-5-(2-methylphenyl)-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
Molecular Weight: | 454.59 |
Molecular Formula: | C27 H26 N4 O S |
Smiles: | Cc1ccccc1C1C(C#N)=C2N=C(c3c4CCCCCc4sc3N2C2CCCC(C1=2)=O)N |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9529 |
logD: | -3.7716 |
logSw: | -4.8466 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.369 |
InChI Key: | SRVDHFMQZSLUEH-QFIPXVFZSA-N |