4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-ethoxyphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-ethoxyphenyl)benzene-1-sulfonamide
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-ethoxyphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8003-3798 |
| Compound Name: | 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-ethoxyphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | CCOc1ccc(cc1)NS(c1ccc(cc1)NC=C1C(NC(NC1=O)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8083 |
| logD: | 2.3746 |
| logSw: | -3.5219 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109 |
| InChI Key: | KIMMRMUIFZGPAF-UHFFFAOYSA-N |