4,7-diamino-5-(2,6-dichlorophenyl)-2-(ethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(2,6-dichlorophenyl)-2-(ethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(2,6-dichlorophenyl)-2-(ethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-0260 |
| Compound Name: | 4,7-diamino-5-(2,6-dichlorophenyl)-2-(ethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C16 H13 Cl2 N5 O S |
| Smiles: | CCSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1c(cccc1[Cl])[Cl])N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.142 |
| logD: | 3.1419 |
| logSw: | -3.6784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.203 |
| InChI Key: | IZJWQYMJRXSKOX-JTQLQIEISA-N |