N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-5756 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2087 |
| logD: | 5.2081 |
| logSw: | -5.0603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.613 |
| InChI Key: | XHHZPLPDJSBNAN-UHFFFAOYSA-N |