4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V027-8630 |
| Compound Name: | 4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(c1ccc(CSc2nc(COC)cc(n2)N2CCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5314 |
| logD: | 3.5312 |
| logSw: | -3.8808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.12 |
| InChI Key: | MENBRJHAZFMXQA-UHFFFAOYSA-N |