4-{2,5-dioxo-3-[(N'-phenylcarbamimidoyl)sulfanyl]pyrrolidin-1-yl}benzoic acid
Chemical Structure Depiction of
4-{2,5-dioxo-3-[(N'-phenylcarbamimidoyl)sulfanyl]pyrrolidin-1-yl}benzoic acid
4-{2,5-dioxo-3-[(N'-phenylcarbamimidoyl)sulfanyl]pyrrolidin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8005-2671 |
| Compound Name: | 4-{2,5-dioxo-3-[(N'-phenylcarbamimidoyl)sulfanyl]pyrrolidin-1-yl}benzoic acid |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C18 H15 N3 O4 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)SC(/N)=N/c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5354 |
| logD: | -0.8598 |
| logSw: | -2.0927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.042 |
| InChI Key: | XPNQUVNMEOCANK-AWEZNQCLSA-N |