4,7-diamino-5-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8857 |
| Compound Name: | 4,7-diamino-5-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 500.8 |
| Molecular Formula: | C21 H15 Br Cl N5 O S |
| Smiles: | C(c1ccccc1[Cl])Sc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cccc(c1)[Br])N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1433 |
| logD: | 5.1431 |
| logSw: | -5.8271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.931 |
| InChI Key: | UIDVBSOPTDOKLN-MRXNPFEDSA-N |