4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(3-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(3-methylphenyl)benzene-1-sulfonamide
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(3-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8003-3802 |
| Compound Name: | 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(3-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C18 H16 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)NS(c1ccc(cc1)NC=C1C(NC(NC1=O)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7662 |
| logD: | 2.3325 |
| logSw: | -3.4045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.876 |
| InChI Key: | KHDXCCJTHOMKGG-UHFFFAOYSA-N |