4-methyl-5-phenyl-3-[4-(pyridine-3-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-phenyl-3-[4-(pyridine-3-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-phenyl-3-[4-(pyridine-3-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | T380-0001 |
| Compound Name: | 4-methyl-5-phenyl-3-[4-(pyridine-3-sulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)S(c1cccnc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9858 |
| logD: | 1.9858 |
| logSw: | -1.8502 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.498 |
| InChI Key: | RUPFJGQQUZTYFZ-UHFFFAOYSA-N |