7-amino-2-(benzylsulfanyl)-4-oxo-5-phenyl-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
7-amino-2-(benzylsulfanyl)-4-oxo-5-phenyl-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
7-amino-2-(benzylsulfanyl)-4-oxo-5-phenyl-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
Compound ID: | 8013-2410 |
Compound Name: | 7-amino-2-(benzylsulfanyl)-4-oxo-5-phenyl-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
Molecular Weight: | 388.45 |
Molecular Formula: | C21 H16 N4 O2 S |
Smiles: | C(c1ccccc1)SC1NC(C2C(C(C#N)=C(N)OC=2N=1)c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2906 |
logD: | 2.0184 |
logSw: | -2.8065 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.569 |
InChI Key: | YWYMYEIXIACBON-INIZCTEOSA-N |