4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8613 |
| Compound Name: | 4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 489.9 |
| Molecular Formula: | C22 H15 Cl F3 N5 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc(c2C(C(C#N)=C(N)Oc2n1)c1ccc(cc1)C(F)(F)F)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8359 |
| logD: | 4.8359 |
| logSw: | -5.4517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.931 |
| InChI Key: | OYIGJZIYLAEZGJ-INIZCTEOSA-N |