4,7-diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8604 |
| Compound Name: | 4,7-diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C21 H16 F N5 O S |
| Smiles: | C(c1ccccc1)Sc1nc(c2C(C(C#N)=C(N)Oc2n1)c1ccccc1F)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5759 |
| logD: | 3.5758 |
| logSw: | -3.8142 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.931 |
| InChI Key: | WRFFHKCXXWPWSR-INIZCTEOSA-N |