7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 5436-0409 |
| Compound Name: | 7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CC(C)C1C(C#N)=C(N)OC2=C1C(NC(=N2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8793 |
| logD: | 1.3071 |
| logSw: | -2.4157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.84 |
| InChI Key: | ABOUMNGMEJHJAA-ZDUSSCGKSA-N |