N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | L679-0458 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | Cc1cc(C)cc(c1)n1c(CN2CCN(CC2)C(Nc2ccc3c(c2)OCCO3)=O)nc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.9612 |
| logD: | 2.855 |
| logSw: | -3.091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.626 |
| InChI Key: | UQSLJJLUSYNRGE-UHFFFAOYSA-N |