N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-3-methoxybenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-3-methoxybenzamide--hydrogen chloride (1/1)
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-3-methoxybenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C301-7030 |
| Compound Name: | N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-3-methoxybenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 550.06 |
| Molecular Formula: | C29 H31 N5 O4 |
| Salt: | HCl |
| Smiles: | CCOc1ccc(cc1)Nc1c(c(C)nc(Nc2ccc(cc2)OCC)n1)NC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8443 |
| logD: | 5.7534 |
| logSw: | -5.4807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.472 |
| InChI Key: | ZYBLBLZSHUMZAI-UHFFFAOYSA-N |