4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8854 |
| Compound Name: | 4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 408.25 |
| Molecular Formula: | C15 H11 Br F N5 O S |
| Smiles: | CSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cc(ccc1F)[Br])N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2223 |
| logD: | 3.2221 |
| logSw: | -3.5448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.203 |
| InChI Key: | GPNPTGSXCGGYCJ-SNVBAGLBSA-N |