4,7-diamino-5-(4-bromophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(4-bromophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(4-bromophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8853 |
| Compound Name: | 4,7-diamino-5-(4-bromophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 390.26 |
| Molecular Formula: | C15 H12 Br N5 O S |
| Smiles: | CSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1ccc(cc1)[Br])N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9681 |
| logD: | 2.9679 |
| logSw: | -3.2566 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.203 |
| InChI Key: | QNILFSFMHJGDNV-SNVBAGLBSA-N |