4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-0913 |
| Compound Name: | 4,7-diamino-2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C23 H20 Cl N5 O3 S |
| Smiles: | COc1cccc(C2C(C#N)=C(N)Oc3c2c(N)nc(n3)SCc2ccccc2[Cl])c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2428 |
| logD: | 4.2427 |
| logSw: | -4.4427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.279 |
| InChI Key: | OTHHXYPZDXGQAM-KRWDZBQOSA-N |