methyl 4-chloro-2-({4-[2-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({4-[2-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carbonyl}amino)benzoate
methyl 4-chloro-2-({4-[2-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | L712-0222 |
| Compound Name: | methyl 4-chloro-2-({4-[2-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C22 H25 Cl N6 O3 |
| Smiles: | Cc1nc2cccnc2n1CCN1CCN(CC1)C(Nc1cc(ccc1C(=O)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4153 |
| logD: | 2.3326 |
| logSw: | -3.491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.565 |
| InChI Key: | CTJJLCKCZHUXDQ-UHFFFAOYSA-N |