methyl 3-[2-({2-methyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-[2-({2-methyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate--hydrogen chloride (1/1)
methyl 3-[2-({2-methyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SD40-0784 |
| Compound Name: | methyl 3-[2-({2-methyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C26 H34 N4 O4 |
| Salt: | HCl |
| Smiles: | CC(C)CC(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1385 |
| logD: | 3.1385 |
| logSw: | -3.2533 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.264 |
| InChI Key: | OWZAGHWIVRQHMU-UHFFFAOYSA-N |