(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0037 |
| Compound Name: | (5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CC1C(=CN(Cc2ccccc2)S(N=1)(=O)=O)C(=O)OCc1nc(C2CCCC2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.6771 |
| logD: | 2.6771 |
| logSw: | -2.8555 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.582 |
| InChI Key: | ISAAIVMQCUCUPN-UHFFFAOYSA-N |