N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-5514 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 516.54 |
| Molecular Formula: | C25 H23 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cc(C(F)(F)F)nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2438 |
| logD: | 5.2438 |
| logSw: | -5.4947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.071 |
| InChI Key: | NXLOVXCAPSKSHM-UHFFFAOYSA-N |