4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N,N-dimethylbenzene-1-sulfonamide
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8002-6858 |
| Compound Name: | 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C13 H14 N4 O4 S2 |
| Smiles: | CN(C)S(c1ccc(cc1)NC=C1C(NC(NC1=O)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0008 |
| logD: | 0.5672 |
| logSw: | -2.4865 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.89 |
| InChI Key: | XVVAMETXADALSG-UHFFFAOYSA-N |