[5-(4-cyanophenyl)-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-(4-cyanophenyl)-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-(4-cyanophenyl)-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: | S342-0117 |
| Compound Name: | [5-(4-cyanophenyl)-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: | 493.5 |
| Molecular Formula: | C23 H19 N5 O6 S |
| Smiles: | CC1C(=CN(Cc2ccc(cc2)OC)S(N=1)(=O)=O)C(=O)OCc1nc(c2ccc(C#N)cc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.1668 |
| logD: | 2.1668 |
| logSw: | -2.586 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 120.624 |
| InChI Key: | UUSWODSWXJZGTP-UHFFFAOYSA-N |