N~1~-(3-chloro-4-methylphenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
Chemical Structure Depiction of
N~1~-(3-chloro-4-methylphenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
N~1~-(3-chloro-4-methylphenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide
Compound characteristics
| Compound ID: | D176-0049 |
| Compound Name: | N~1~-(3-chloro-4-methylphenyl)-N~2~-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanediamide |
| Molecular Weight: | 358.82 |
| Molecular Formula: | C19 H19 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(C(NCC1c2ccccc2CCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7346 |
| logD: | 2.3558 |
| logSw: | -4.0045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.647 |
| InChI Key: | BGTCKGWPFJQIGH-KRWDZBQOSA-N |