2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-5-(propan-2-yl)thiophene-3-carboxamide
Chemical Structure Depiction of
2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-5-(propan-2-yl)thiophene-3-carboxamide
2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-5-(propan-2-yl)thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y501-7793 |
| Compound Name: | 2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-5-(propan-2-yl)thiophene-3-carboxamide |
| Molecular Weight: | 529.45 |
| Molecular Formula: | C25 H25 Br N2 O4 S |
| Smiles: | CC(C)c1cc(C(N)=O)c(NC(/C=C/c2ccc(c(COc3ccc(cc3)[Br])c2)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7326 |
| logD: | 5.6887 |
| logSw: | -5.4971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.827 |
| InChI Key: | OIRAVYUNRXWWKM-UHFFFAOYSA-N |