N-[(2-bromophenyl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
N-[(2-bromophenyl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-5174 |
| Compound Name: | N-[(2-bromophenyl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 446.36 |
| Molecular Formula: | C21 H20 Br N O3 S |
| Smiles: | Cc1ccc(CS(Cc2ccc(C(NCc3ccccc3[Br])=O)o2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1535 |
| logD: | 4.1535 |
| logSw: | -4.1828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.266 |
| InChI Key: | DUCOLADTMJLKJJ-UHFFFAOYSA-N |