N~1~-(4-bromophenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
Chemical Structure Depiction of
N~1~-(4-bromophenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
N~1~-(4-bromophenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
Compound characteristics
| Compound ID: | D176-0044 |
| Compound Name: | N~1~-(4-bromophenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide |
| Molecular Weight: | 389.25 |
| Molecular Formula: | C18 H17 Br N2 O3 |
| Smiles: | C1COC(CNC(C(Nc2ccc(cc2)[Br])=O)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1783 |
| logD: | 1.992 |
| logSw: | -3.3418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.647 |
| InChI Key: | APYHAGDLBAJHTO-INIZCTEOSA-N |