4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8603 |
| Compound Name: | 4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C21 H15 Cl F N5 O S |
| Smiles: | C(c1ccccc1[Cl])Sc1nc(c2C(C(C#N)=C(N)Oc2n1)c1ccc(cc1)F)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3338 |
| logD: | 4.3336 |
| logSw: | -4.7912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.931 |
| InChI Key: | PPGRKLAFOSIMLB-INIZCTEOSA-N |