[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0105 |
| Compound Name: | [5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C21 H26 N4 O6 S |
| Smiles: | CCC(CC)c1nc(COC(C2=CN(Cc3ccc(cc3)OC)S(N=C2C)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.9888 |
| logD: | 2.9888 |
| logSw: | -3.1685 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.84 |
| InChI Key: | PNWAVNWQSJMWQH-UHFFFAOYSA-N |