methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]thiophene-2-carboxylate
methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G225-0077 |
| Compound Name: | methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]thiophene-2-carboxylate |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C18 H18 N2 O6 S2 |
| Smiles: | COC(c1c(ccs1)S(N1CC(N(CCc2ccccc2)C(C1)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2307 |
| logD: | 1.2307 |
| logSw: | -2.1354 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.509 |
| InChI Key: | CTBGAIDAURYLQA-UHFFFAOYSA-N |