4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-phenylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-phenylbenzene-1-sulfonamide
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-phenylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8004-3466 |
| Compound Name: | 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-phenylbenzene-1-sulfonamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C17 H14 N4 O4 S2 |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)Nc1ccc(cc1)S(Nc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2476 |
| logD: | 1.8139 |
| logSw: | -2.8774 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.876 |
| InChI Key: | NPKSHIGHNZMMEZ-UHFFFAOYSA-N |