N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-5262 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide |
| Molecular Weight: | 537.68 |
| Molecular Formula: | C28 H35 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(C(NCc2ccc3c(c2)OCO3)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.5462 |
| logD: | 4.8588 |
| logSw: | -5.3679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.083 |
| InChI Key: | UCNMKFXYGZXTTP-UHFFFAOYSA-N |