3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | T380-0002 |
| Compound Name: | 3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9388 |
| logD: | 2.9388 |
| logSw: | -3.2071 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.98 |
| InChI Key: | ISYSHJCMSCZWBA-UHFFFAOYSA-N |