4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide
4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8010-1368 |
| Compound Name: | 4-({[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide |
| Molecular Weight: | 558.96 |
| Molecular Formula: | C23 H19 Cl N6 O7 S |
| Smiles: | COc1cc(NS(c2ccc(cc2)N/C=C2/C(NC(N(C2=O)c2cccc(c2)[Cl])=O)=O)(=O)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7007 |
| logD: | -0.4269 |
| logSw: | -3.7067 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.568 |
| InChI Key: | PKCAGNUUKGQAGF-UHFFFAOYSA-N |