4-{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
4-{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3871-0358 |
| Compound Name: | 4-{2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C15 H12 N4 O4 S2 |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cccn1c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1482 |
| logD: | 0.7781 |
| logSw: | -2.0859 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.758 |
| InChI Key: | KTUZOCRYMZWYQY-UHFFFAOYSA-N |