N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V001-4553 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3869 |
| logD: | 4.3865 |
| logSw: | -4.2202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.109 |
| InChI Key: | MSWKGQDNLGYHQL-UHFFFAOYSA-N |