(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | D430-0105 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2091 |
| logD: | 3.1855 |
| logSw: | -3.1628 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.192 |
| InChI Key: | JMDAKHBCNNVNBC-UHFFFAOYSA-N |