{3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
Chemical Structure Depiction of
{3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
{3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
Compound characteristics
| Compound ID: | 5646-0570 |
| Compound Name: | {3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C16 H13 N3 O4 S |
| Smiles: | CN1C(C(=C\c2cn(CC(O)=O)c3ccccc23)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1628 |
| logD: | -4.1445 |
| logSw: | -2.2328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.265 |
| InChI Key: | WWQWYCMMFPGIBJ-UHFFFAOYSA-N |