N~1~-(4-bromophenyl)-N~2~-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide
Chemical Structure Depiction of
N~1~-(4-bromophenyl)-N~2~-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide
N~1~-(4-bromophenyl)-N~2~-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide
Compound characteristics
| Compound ID: | D176-0033 |
| Compound Name: | N~1~-(4-bromophenyl)-N~2~-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide |
| Molecular Weight: | 447.33 |
| Molecular Formula: | C21 H23 Br N2 O4 |
| Smiles: | COc1ccc(cc1)C1(CCOCC1)CNC(C(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9202 |
| logD: | 2.7339 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.387 |
| InChI Key: | NAXAYWFLESXLGI-UHFFFAOYSA-N |