(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate
Chemical Structure Depiction of
(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate
(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate
Compound characteristics
| Compound ID: | 8004-3468 |
| Compound Name: | (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C13 H19 N3 O6 S3 |
| Smiles: | CC1(C)OCC(COC(Nc2c(nsc2SC)SC)=O)(CO1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1059 |
| logD: | 3.1047 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.357 |
| InChI Key: | LMPMALDYUPUOPE-UHFFFAOYSA-N |