N-[(5-bromo-2-methoxyphenyl)methyl]-5-{[(3-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-5-{[(3-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-5-{[(3-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-6588 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-5-{[(3-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 496.81 |
| Molecular Formula: | C21 H19 Br Cl N O4 S |
| Smiles: | COc1ccc(cc1CNC(c1ccc(CS(Cc2cccc(c2)[Cl])=O)o1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6844 |
| logD: | 4.6844 |
| logSw: | -4.8314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.896 |
| InChI Key: | XQUPAFJJBGWNLY-UHFFFAOYSA-N |