N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C328-0050 |
| Compound Name: | N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(o1)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8091 |
| logD: | 1.8091 |
| logSw: | -2.2898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.43 |
| InChI Key: | XXFWJCHXZMCQLU-UHFFFAOYSA-N |