methyl 3-(2-{[2-methyl-4-(piperidin-4-yl)pyrimidine-5-carbonyl]amino}ethyl)benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-(2-{[2-methyl-4-(piperidin-4-yl)pyrimidine-5-carbonyl]amino}ethyl)benzoate--hydrogen chloride (1/1)
methyl 3-(2-{[2-methyl-4-(piperidin-4-yl)pyrimidine-5-carbonyl]amino}ethyl)benzoate--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | SD40-0504 |
Compound Name: | methyl 3-(2-{[2-methyl-4-(piperidin-4-yl)pyrimidine-5-carbonyl]amino}ethyl)benzoate--hydrogen chloride (1/1) |
Molecular Weight: | 418.92 |
Molecular Formula: | C21 H26 N4 O3 |
Salt: | HCl |
Smiles: | Cc1ncc(C(NCCc2cccc(c2)C(=O)OC)=O)c(C2CCNCC2)n1 |
Stereo: | ACHIRAL |
logP: | 0.648 |
logD: | -2.1988 |
logSw: | -1.9221 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.024 |
InChI Key: | CPVWTTTYOUUFSS-UHFFFAOYSA-N |