methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0160 |
| Compound Name: | methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 325.81 |
| Molecular Formula: | C14 H15 N3 O2 S |
| Salt: | HCl |
| Smiles: | Cc1cc(Nc2cccc(c2)C(=O)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.8142 |
| logD: | 3.8001 |
| logSw: | -3.9848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.992 |
| InChI Key: | DSAQLQTWBNRKEZ-UHFFFAOYSA-N |