2-methylpropyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-methylpropyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
2-methylpropyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0188 |
| Compound Name: | 2-methylpropyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 367.9 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Salt: | HCl |
| Smiles: | CC(C)COC(c1ccc(cc1)Nc1cc(C)nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8978 |
| logD: | 4.8837 |
| logSw: | -4.5822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.947 |
| InChI Key: | LXRUBDVLTQVZAI-UHFFFAOYSA-N |