methyl 2-[(4-{[3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 2-[(4-{[3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L679-0122 |
| Compound Name: | methyl 2-[(4-{[3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | CCc1ccc(cc1)n1c(CN2CCN(CC2)C(Nc2ccccc2C(=O)OC)=O)nc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0772 |
| logD: | 4.0726 |
| logSw: | -4.0428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.279 |
| InChI Key: | KRGFUCZYHRKYMT-UHFFFAOYSA-N |