N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C328-0059 |
| Compound Name: | N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C21 H20 N4 O6 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(o1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7222 |
| logD: | 1.7222 |
| logSw: | -2.509 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.545 |
| InChI Key: | XCCZRKKZEXGMNF-UHFFFAOYSA-N |