methyl 4-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]benzoate
methyl 4-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G364-0962 |
| Compound Name: | methyl 4-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]benzoate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCCN(Cc2ccccc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5294 |
| logD: | 2.5293 |
| logSw: | -2.9015 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.702 |
| InChI Key: | PJKHJOUGJOMGKB-UHFFFAOYSA-N |