3-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}phenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}phenol--hydrogen chloride (1/1)
3-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}phenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0388 |
| Compound Name: | 3-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}phenol--hydrogen chloride (1/1) |
| Molecular Weight: | 309.82 |
| Molecular Formula: | C14 H15 N3 O S |
| Salt: | HCl |
| Smiles: | CSc1nc2CCCc2c(Nc2cccc(c2)O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3724 |
| logD: | 3.276 |
| logSw: | -3.363 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.488 |
| InChI Key: | IITZBGYXTZSCLI-UHFFFAOYSA-N |