methyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
methyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Compound characteristics
| Compound ID: | D401-0489 |
| Compound Name: | methyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | COC(c1ccc(cc1)c1c(Nc2ccc3c(c2)OCCO3)n2ccncc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6879 |
| logD: | 2.6876 |
| logSw: | -2.9679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.194 |
| InChI Key: | PGNHFBPKFNUFHA-UHFFFAOYSA-N |