N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V031-2236 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(C(NCc2ccc3c(c2)OCO3)=O)o1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.9481 |
| logD: | 5.9478 |
| logSw: | -5.4385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.912 |
| InChI Key: | NRAJOBHJVDYKJK-UHFFFAOYSA-N |