4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(2-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(2-methylphenyl)benzene-1-sulfonamide
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(2-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8006-8248 |
| Compound Name: | 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(2-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C18 H16 N4 O4 S2 |
| Smiles: | Cc1ccccc1NS(c1ccc(cc1)NC=C1C(NC(NC1=O)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4463 |
| logD: | 2.0126 |
| logSw: | -2.7995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.178 |
| InChI Key: | BJCMDLMDSJZRBZ-UHFFFAOYSA-N |