4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8586 |
| Compound Name: | 4,7-diamino-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C20 H15 Cl N6 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cccnc1)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8836 |
| logD: | 2.8268 |
| logSw: | -3.6447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.449 |
| InChI Key: | QPOMXANBCMEVEN-HNNXBMFYSA-N |