N-benzyl-2-({[1-methyl-5-(trifluoroacetyl)-1H-pyrrol-3-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({[1-methyl-5-(trifluoroacetyl)-1H-pyrrol-3-yl]methyl}sulfanyl)acetamide
N-benzyl-2-({[1-methyl-5-(trifluoroacetyl)-1H-pyrrol-3-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C799-0481 |
| Compound Name: | N-benzyl-2-({[1-methyl-5-(trifluoroacetyl)-1H-pyrrol-3-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 370.39 |
| Molecular Formula: | C17 H17 F3 N2 O2 S |
| Smiles: | Cn1cc(CSCC(NCc2ccccc2)=O)cc1C(C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1217 |
| logD: | 3.1217 |
| logSw: | -3.2694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.487 |
| InChI Key: | KMXVQVHGYAZURL-UHFFFAOYSA-N |