N-{3-[ethyl(phenyl)amino]propyl}-1-methyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(phenyl)amino]propyl}-1-methyl-7-oxoazepane-2-carboxamide
N-{3-[ethyl(phenyl)amino]propyl}-1-methyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0123 |
| Compound Name: | N-{3-[ethyl(phenyl)amino]propyl}-1-methyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C19 H29 N3 O2 |
| Smiles: | CCN(CCCNC(C1CCCCC(N1C)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9761 |
| logD: | 1.947 |
| logSw: | -2.2369 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.261 |
| InChI Key: | VKLSLXUGYXNMNY-KRWDZBQOSA-N |