N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0543 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C21 H22 F N3 O5 S |
| Smiles: | CN1C(=CC(c2ccc(cc2)F)=NS1(=O)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0324 |
| logD: | 2.0312 |
| logSw: | -2.9172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.743 |
| InChI Key: | PLDBQLWANRELNC-UHFFFAOYSA-N |