4-{3-[(N,N'-diethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(N,N'-diethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
4-{3-[(N,N'-diethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8005-8918 |
| Compound Name: | 4-{3-[(N,N'-diethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CCN/C(=N/CC)SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5423 |
| logD: | -0.8529 |
| logSw: | -2.3279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.489 |
| InChI Key: | OHVLUMXZCQGDPV-LBPRGKRZSA-N |