methyl 3-{4-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-sulfonyl}thiophene-2-carboxylate
methyl 3-{4-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y600-4495 |
| Compound Name: | methyl 3-{4-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C21 H23 N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)N1C(CC(C1=O)N1CCN(CC1)S(c1ccsc1C(=O)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2943 |
| logD: | 1.2943 |
| logSw: | -2.2753 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.699 |
| InChI Key: | VYZVGUAAJWUMPB-INIZCTEOSA-N |