N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | D574-0190 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8729 |
| logD: | 2.8611 |
| logSw: | -3.1986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.378 |
| InChI Key: | IXATYSHTGCPBMS-UHFFFAOYSA-N |