methyl 3-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]thiophene-2-carboxylate
methyl 3-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G775-0285 |
| Compound Name: | methyl 3-[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C18 H21 N3 O5 S2 |
| Smiles: | COC(c1c(ccs1)NC(CN1CCCN(Cc2ccccc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8571 |
| logD: | 1.8266 |
| logSw: | -2.5237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.022 |
| InChI Key: | BPJDHQZXBUPIPF-UHFFFAOYSA-N |