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 |