{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
Chemical Structure Depiction of
{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
Compound characteristics
| Compound ID: | 4920-0685 |
| Compound Name: | {3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | CN1C(C(=Cc2cn(CC(O)=O)c3ccccc23)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4231 |
| logD: | -4.4048 |
| logSw: | -1.755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.206 |
| InChI Key: | FIGCZVXHWQVSJI-UHFFFAOYSA-N |