3-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | T380-0025 |
| Compound Name: | 3-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C18 H25 N3 O4 S2 |
| Smiles: | CCS(N1CCCN(CC1)C1C(C)=C(c2ccc(C)cc2)S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2873 |
| logD: | 2.2873 |
| logSw: | -2.532 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.146 |
| InChI Key: | IIBZKZWHLNZDJF-UHFFFAOYSA-N |